 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895347/Gau-18398.inp" -scrdir="/scratch/9895347/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18399.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=17_camphor_STD_B3LYPDBJ-def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=CarbonTetraChloride)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=11,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=11,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:32:45 2022, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.909392000000     -0.256340000000      0.424222000000
  C                                                -0.288665000000     -0.500024000000     -0.551274000000
  C                                                -0.053948000000      0.598961000000     -1.631490000000
  C                                                 0.591339000000      1.776614000000     -0.850814000000
  C                                                 0.596393000000      1.259663000000      0.600580000000
  C                                                -1.441722000000      0.068745000000      0.275102000000
  C                                                -0.867880000000      1.247572000000      1.065930000000
  C                                                -0.529238000000     -1.889055000000     -1.090275000000
  O                                                -2.580268000000     -0.322726000000      0.294255000000
  C                                                 2.280642000000     -0.533765000000     -0.190909000000
  C                                                 0.806031000000     -1.067470000000      1.719398000000
  H                                                 0.609760000000      0.209736000000     -2.403647000000
  H                                                -0.986507000000      0.874939000000     -2.124235000000
  H                                                 0.019348000000      2.699916000000     -0.943059000000
  H                                                 1.598810000000      1.987374000000     -1.206735000000
  H                                                -0.984333000000      1.058438000000      2.133454000000
  H                                                -1.413117000000      2.164495000000      0.837905000000
  H                                                 1.274731000000      1.792071000000      1.266719000000
  H                                                -1.431449000000     -1.907859000000     -1.702944000000
  H                                                -0.672823000000     -2.608440000000     -0.282929000000
  H                                                 0.309211000000     -2.221656000000     -1.704806000000
  H                                                 2.441196000000     -0.030030000000     -1.141406000000
  H                                                 2.414644000000     -1.604083000000     -0.357383000000
  H                                                 3.068204000000     -0.208478000000      0.493063000000
  H                                                -0.176749000000     -1.018099000000      2.186698000000
  H                                                 1.540309000000     -0.715601000000      2.447452000000
  H                                                 1.016849000000     -2.120323000000      1.524992000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Wed Mar 16 19:32:46 2022, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591339    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529238   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322726    0.294255
     10          6           0        2.280642   -0.533765   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019348    2.699916   -0.943059
     15          1           0        1.598810    1.987374   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413117    2.164495    0.837905
     18          1           0        1.274731    1.792071    1.266719
     19          1           0       -1.431449   -1.907859   -1.702944
     20          1           0       -0.672823   -2.608440   -0.282929
     21          1           0        0.309211   -2.221656   -1.704806
     22          1           0        2.441196   -0.030030   -1.141406
     23          1           0        2.414644   -1.604083   -0.357383
     24          1           0        3.068204   -0.208478    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016849   -2.120323    1.524992
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.564070   0.000000
     3  C    2.426008   1.558758   0.000000
     4  C    2.420698   2.459108   1.553292   0.000000
     5  C    1.557991   2.281796   2.416942   1.540717   0.000000
     6  C    2.378162   1.528377   2.417052   2.884067   2.382884
     7  C    2.415002   2.450496   2.891238   2.466397   1.536487
     8  C    2.651248   1.509240   2.590181   3.840594   3.747060
     9  O    3.492710   2.449040   3.307611   3.972090   3.562157
    10  C    1.528292   2.594675   2.967937   2.937187   2.584479
    11  C    1.531697   2.583855   3.839923   3.839387   2.590608
    12  H    2.881640   2.177662   1.090060   2.206068   3.182437
    13  H    3.371774   2.202660   1.090242   2.219058   3.174618
    14  H    3.376549   3.238516   2.212085   1.090032   2.188637
    15  H    2.858246   3.190508   2.199936   1.089081   2.191071
    16  H    2.869897   3.181277   3.905322   3.450272   2.211083
    17  H    3.380181   3.208406   3.224306   2.649541   2.216568
    18  H    2.244830   3.317078   3.404191   2.225131   1.089652
    19  H    3.568177   2.148092   2.861252   4.288722   4.410392
    20  H    2.921616   2.159862   3.533984   4.598837   4.165779
    21  H    2.958960   2.156875   2.844844   4.098178   4.185315
    22  H    2.202006   2.832188   2.619457   2.601995   2.846247
    23  H    2.166357   2.926503   3.545518   3.872600   3.524879
    24  H    2.160440   3.527635   3.861802   3.446949   2.876951
    25  H    2.205969   2.788802   4.148316   4.198435   2.881270
    26  H    2.168510   3.519088   4.572472   4.241490   2.864189
    27  H    2.167412   2.939492   4.301685   4.583845   3.529253
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.531123   0.000000
     8  C    2.555360   3.821299   0.000000
     9  O    1.204119   2.448181   2.928657   0.000000
    10  C    3.799497   3.829621   3.246705   4.889618   0.000000
    11  C    2.903338   2.930600   3.217485   3.748693   2.471556
    12  H    3.377004   3.911328   2.725286   4.211706   2.870688
    13  H    2.571767   3.214044   2.986274   3.134257   4.049254
    14  H    3.246799   2.632967   4.623989   4.174364   4.016948
    15  H    3.888678   3.434658   4.423670   5.005420   2.802310
    16  H    2.154569   1.090385   4.391726   2.799513   4.312521
    17  H    2.170192   1.090883   4.574974   2.800726   4.688595
    18  H    3.366344   2.219815   4.728680   4.503229   2.923363
    19  H    2.796379   4.235684   1.090734   2.796647   4.237217
    20  H    2.840761   4.089780   1.090843   3.032487   3.610499
    21  H    3.497390   4.593263   1.091452   3.993904   3.004563
    22  H    4.134405   4.177868   3.504578   5.230860   1.087645
    23  H    4.250876   4.575229   3.047094   5.197658   1.091444
    24  H    4.523692   4.235684   4.274680   5.653124   1.092650
    25  H    2.536846   2.620505   3.409012   3.137162   3.453457
    26  H    3.771845   3.400298   4.263277   4.665808   2.746290
    27  H    3.521195   3.886600   3.046882   4.205392   2.656813
                   11         12         13         14         15
    11  C    0.000000
    12  H    4.320796   0.000000
    13  H    4.664725   1.751752   0.000000
    14  H    4.679823   2.946676   2.395300   0.000000
    15  H    4.303815   2.360257   2.960267   1.752695   0.000000
    16  H    2.810041   4.883310   4.261642   3.628603   4.323472
    17  H    4.018364   4.291943   3.258715   2.347438   3.644671
    18  H    2.932844   4.051858   4.177667   2.698757   2.502228
    19  H    4.174326   3.023529   2.849460   4.890177   4.959993
    20  H    2.927612   3.752943   3.952561   5.393841   5.209150
    21  H    3.647485   2.547622   3.382855   4.988602   4.430245
    22  H    3.454598   2.237163   3.678868   3.654763   2.187190
    23  H    2.681158   3.276392   4.564553   4.960329   3.779623
    24  H    2.712783   3.822274   4.946183   4.451598   3.141687
    25  H    1.089341   4.816372   4.777389   4.863894   4.868353
    26  H    1.092263   5.025468   5.460306   5.047241   4.545611
    27  H    1.091209   4.585750   5.128537   5.506450   4.967312
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756606   0.000000
    18  H    2.528402   2.747200   0.000000
    19  H    4.869988   4.800033   5.461849   0.000000
    20  H    4.402492   4.958348   5.055578   1.755782   0.000000
    21  H    5.211959   5.354448   5.086472   1.768720   1.770798
    22  H    4.862481   4.856886   3.237246   4.340385   4.133073
    23  H    4.984609   5.502967   3.933316   4.085982   3.247573
    24  H    4.551814   5.082534   2.795941   5.287459   4.511903
    25  H    2.228684   3.671070   3.293966   4.182734   2.978982
    26  H    3.101552   4.428128   2.784435   5.242005   3.991964
    27  H    3.805191   4.973579   3.929381   4.056954   2.522266
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.109020   0.000000
    23  H    2.574838   1.758704   0.000000
    24  H    4.061472   1.759679   1.760146   0.000000
    25  H    4.102257   4.348125   3.678457   3.748814   0.000000
    26  H    4.585308   3.763178   3.069358   2.532049   1.762891
    27  H    3.307962   3.675291   2.400765   2.987990   1.754260
                   26         27
    26  H    0.000000
    27  H    1.760167   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.50D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591339    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529238   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322726    0.294255
     10          6           0        2.280642   -0.533765   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019348    2.699916   -0.943059
     15          1           0        1.598810    1.987374   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413117    2.164495    0.837905
     18          1           0        1.274731    1.792071    1.266719
     19          1           0       -1.431449   -1.907859   -1.702944
     20          1           0       -0.672823   -2.608440   -0.282929
     21          1           0        0.309211   -2.221656   -1.704806
     22          1           0        2.441196   -0.030030   -1.141406
     23          1           0        2.414644   -1.604083   -0.357383
     24          1           0        3.068204   -0.208477    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016849   -2.120323    1.524992
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4525294           1.1850541           1.0991329
 Leave Link  202 at Wed Mar 16 19:32:46 2022, MaxMem=  6442450944 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       688.1944778673 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0542507951 Hartrees.
 Nuclear repulsion after empirical dispersion term =      688.1402270722 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   27.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : CarbonTetraChloride, Eps=   2.228000 Eps(inf)=   2.131892
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      27
 GePol: Total number of spheres                      =      27
 GePol: Number of exposed spheres                    =      27 (100.00%)
 GePol: Number of points                             =    1713
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.20D-11
 GePol: Maximum weight of points                     =    0.20577
 GePol: Number of points with low weight             =     123
 GePol: Fraction of low-weight points (<1% of avg)   =       7.18%
 GePol: Cavity surface area                          =    224.844 Ang**2
 GePol: Cavity volume                                =    242.600 Ang**3
 Leave Link  301 at Wed Mar 16 19:32:46 2022, MaxMem=  6442450944 cpu:               6.0 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  6.44D-06  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Wed Mar 16 19:32:47 2022, MaxMem=  6442450944 cpu:               4.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:32:47 2022, MaxMem=  6442450944 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:32:48 2022, MaxMem=  6442450944 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442165951 LenY=  6442026381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8803107.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.11D-15 for   1696.
 Iteration    1 A*A^-1 deviation from orthogonality  is 3.13D-15 for   1683    842.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.11D-15 for   1696.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.94D-15 for   1331   1127.
 E= -465.669026310938    
 DIIS: error= 3.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.669026310938     IErMin= 1 ErrMin= 3.13D-03
 ErrMax= 3.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.46D-03 BMatP= 8.46D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.222 Goal=   None    Shift=    0.000
 GapD=    0.222 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.71D-02 MaxDP=2.49D+00              OVMax= 1.83D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.38D-02    CP:  1.38D+00
 E= -465.676137174370     Delta-E=       -0.007110863432 Rises=F Damp=F
 DIIS: error= 9.08D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.676137174370     IErMin= 2 ErrMin= 9.08D-04
 ErrMax= 9.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-04 BMatP= 8.46D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.08D-03
 Coeff-Com:  0.339D-01 0.966D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.335D-01 0.966D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=8.00D-04 MaxDP=1.30D-01 DE=-7.11D-03 OVMax= 7.92D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.11D-04    CP:  1.40D+00  1.04D+00
 E= -465.675894661310     Delta-E=        0.000242513059 Rises=F Damp=F
 DIIS: error= 1.22D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.676137174370     IErMin= 2 ErrMin= 9.08D-04
 ErrMax= 1.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.13D-04 BMatP= 2.60D-04
 IDIUse=3 WtCom= 2.22D-01 WtEn= 7.78D-01
 Coeff-Com: -0.128D-01 0.614D+00 0.399D+00
 Coeff-En:   0.000D+00 0.654D+00 0.346D+00
 Coeff:     -0.284D-02 0.645D+00 0.358D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.20D-04 MaxDP=1.00D-02 DE= 2.43D-04 OVMax= 4.95D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.57D-05    CP:  1.40D+00  1.04D+00  7.82D-01
 E= -465.676355941735     Delta-E=       -0.000461280425 Rises=F Damp=F
 DIIS: error= 1.37D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.676355941735     IErMin= 4 ErrMin= 1.37D-04
 ErrMax= 1.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-05 BMatP= 2.60D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.37D-03
 Coeff-Com: -0.910D-02 0.327D+00 0.202D+00 0.480D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.909D-02 0.327D+00 0.202D+00 0.480D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=5.76D-05 MaxDP=7.41D-03 DE=-4.61D-04 OVMax= 6.28D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.09D-05    CP:  1.40D+00  1.04D+00  6.99D-01  1.10D+00
 E= -465.676369286142     Delta-E=       -0.000013344407 Rises=F Damp=F
 DIIS: error= 3.39D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.676369286142     IErMin= 5 ErrMin= 3.39D-05
 ErrMax= 3.39D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.63D-07 BMatP= 1.37D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.221D-02 0.504D-01 0.328D-01 0.190D+00 0.729D+00
 Coeff:     -0.221D-02 0.504D-01 0.328D-01 0.190D+00 0.729D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.31D-05 MaxDP=2.37D-03 DE=-1.33D-05 OVMax= 1.66D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.26D-05    CP:  1.40D+00  1.04D+00  7.16D-01  1.10D+00  7.15D-01
 E= -465.676369832951     Delta-E=       -0.000000546809 Rises=F Damp=F
 DIIS: error= 1.04D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.676369832951     IErMin= 6 ErrMin= 1.04D-05
 ErrMax= 1.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-07 BMatP= 6.63D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.507D-03 0.274D-02 0.337D-02 0.626D-01 0.388D+00 0.544D+00
 Coeff:     -0.507D-03 0.274D-02 0.337D-02 0.626D-01 0.388D+00 0.544D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=4.98D-06 MaxDP=3.42D-04 DE=-5.47D-07 OVMax= 6.39D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.84D-06    CP:  1.40D+00  1.04D+00  7.17D-01  1.11D+00  7.75D-01
                    CP:  7.59D-01
 E= -465.676369947956     Delta-E=       -0.000000115006 Rises=F Damp=F
 DIIS: error= 2.08D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.676369947956     IErMin= 7 ErrMin= 2.08D-06
 ErrMax= 2.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.66D-09 BMatP= 1.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.795D-04-0.185D-02-0.490D-03 0.128D-01 0.112D+00 0.235D+00
 Coeff-Com:  0.643D+00
 Coeff:     -0.795D-04-0.185D-02-0.490D-03 0.128D-01 0.112D+00 0.235D+00
 Coeff:      0.643D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=8.48D-05 DE=-1.15D-07 OVMax= 1.31D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.39D-07    CP:  1.40D+00  1.04D+00  7.17D-01  1.11D+00  7.91D-01
                    CP:  7.44D-01  7.86D-01
 E= -465.676369952459     Delta-E=       -0.000000004503 Rises=F Damp=F
 DIIS: error= 4.54D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.676369952459     IErMin= 8 ErrMin= 4.54D-07
 ErrMax= 4.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-10 BMatP= 4.66D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.171D-05-0.819D-03-0.345D-03 0.113D-02 0.205D-01 0.560D-01
 Coeff-Com:  0.216D+00 0.707D+00
 Coeff:     -0.171D-05-0.819D-03-0.345D-03 0.113D-02 0.205D-01 0.560D-01
 Coeff:      0.216D+00 0.707D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.62D-07 MaxDP=2.75D-05 DE=-4.50D-09 OVMax= 2.99D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.72D-07    CP:  1.40D+00  1.04D+00  7.17D-01  1.11D+00  7.90D-01
                    CP:  7.50D-01  8.16D-01  8.74D-01
 E= -465.676369952518     Delta-E=       -0.000000000059 Rises=F Damp=F
 DIIS: error= 2.11D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.676369952518     IErMin= 9 ErrMin= 2.11D-07
 ErrMax= 2.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-11 BMatP= 1.43D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.511D-05-0.207D-03-0.100D-03-0.577D-03 0.249D-03 0.701D-02
 Coeff-Com:  0.494D-01 0.374D+00 0.570D+00
 Coeff:      0.511D-05-0.207D-03-0.100D-03-0.577D-03 0.249D-03 0.701D-02
 Coeff:      0.494D-01 0.374D+00 0.570D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=7.79D-08 MaxDP=9.22D-06 DE=-5.87D-11 OVMax= 1.06D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.63D-08    CP:  1.40D+00  1.04D+00  7.17D-01  1.11D+00  7.90D-01
                    CP:  7.51D-01  8.12D-01  8.99D-01  7.52D-01
 E= -465.676369952529     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 2.07D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.676369952529     IErMin=10 ErrMin= 2.07D-08
 ErrMax= 2.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-13 BMatP= 3.65D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.184D-05-0.360D-04-0.162D-04-0.238D-03-0.757D-03-0.368D-04
 Coeff-Com:  0.645D-02 0.876D-01 0.173D+00 0.734D+00
 Coeff:      0.184D-05-0.360D-04-0.162D-04-0.238D-03-0.757D-03-0.368D-04
 Coeff:      0.645D-02 0.876D-01 0.173D+00 0.734D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.45D-08 MaxDP=1.53D-06 DE=-1.09D-11 OVMax= 1.61D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.14D-08    CP:  1.40D+00  1.04D+00  7.17D-01  1.11D+00  7.90D-01
                    CP:  7.51D-01  8.12D-01  9.06D-01  7.52D-01  8.80D-01
 E= -465.676369952513     Delta-E=        0.000000000015 Rises=F Damp=F
 DIIS: error= 7.88D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.676369952529     IErMin=11 ErrMin= 7.88D-09
 ErrMax= 7.88D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.84D-14 BMatP= 4.08D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.494D-06-0.372D-05 0.851D-07-0.712D-04-0.333D-03-0.434D-03
 Coeff-Com: -0.139D-03 0.159D-01 0.415D-01 0.317D+00 0.626D+00
 Coeff:      0.494D-06-0.372D-05 0.851D-07-0.712D-04-0.333D-03-0.434D-03
 Coeff:     -0.139D-03 0.159D-01 0.415D-01 0.317D+00 0.626D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.61D-09 MaxDP=3.54D-07 DE= 1.52D-11 OVMax= 7.37D-08

 Error on total polarization charges =  0.00898
 SCF Done:  E(RB3LYP) =  -465.676369953     A.U. after   11 cycles
            NFock= 11  Conv=0.36D-08     -V/T= 2.0118
 KE= 4.602438271758D+02 PE=-2.454398571802D+03 EE= 8.403381476011D+02
 Leave Link  502 at Wed Mar 16 19:35:37 2022, MaxMem=  6442450944 cpu:            1353.5 elap:             169.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.10576004D+03

 Leave Link  801 at Wed Mar 16 19:35:37 2022, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=   2.2280, EpsInf=   2.1319)
 Inv3:  Mode=1 IEnd=     8803107.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.11D-15 for   1696.
 Iteration    1 A*A^-1 deviation from orthogonality  is 3.13D-15 for   1683    842.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.11D-15 for   1696.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.94D-15 for   1331   1127.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8166 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 2.59D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.40D-01 9.12D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 5.00D-02 3.36D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 9.22D-03 1.39D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 1.39D-03 5.97D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 5.11D-05 1.61D-03.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 7.74D-07 1.49D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.04D-08 2.40D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 4.13D-10 3.65D-06.
      8 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 4.91D-12 3.08D-07.
      1 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 4.15D-14 2.01D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.140830D+03
      2  0.173309D+01  0.134146D+03
      3 -0.676153D+00  0.188989D+01  0.130408D+03
 Isotropic polarizability for W=    0.085645      135.13 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.227446D+02 -0.157831D+02  0.128849D+02
      2  -0.156977D+02  0.636714D+01 -0.763036D+01
      3  -0.704695D+01  0.941591D+01 -0.525449D+01
      4  -0.189210D+02  0.372404D+02 -0.170419D+02
      5   0.929931D+01 -0.171234D+02  0.483005D+02
      6  -0.891768D+01 -0.136297D+02 -0.368020D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.155141D+00 -0.521586D+01  0.254285D+01
      2   0.257296D+01 -0.492246D+01  0.237369D+02
      3   0.561690D+01 -0.194654D+02  0.579622D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.815580D-01 -0.599930D+01  0.130961D+02
      2   0.358555D+01 -0.812420D+01  0.553474D+02
      3  -0.313800D+01 -0.529381D+02  0.820576D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.416491D+00  0.359007D+00 -0.795171D+00
      2   0.359007D+00  0.789488D+00 -0.766706D+00
      3  -0.795171D+00 -0.766706D+00 -0.487359D+00
 OR G Eigenvalues:    -1.0921     0.2345     1.5762  Iso=    -0.2395
 Eigenvectors:
   (1)   0.394214   0.281286   0.874914
   (2)   0.745191  -0.654996  -0.125182
   (3)   0.537853   0.701326  -0.467820
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2395 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -74.63 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 9.68D+01
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     217
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.92D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 2.93D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 2.75D-02 4.17D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.38D-03 7.73D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 1.98D-05 8.65D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 2.58D-07 6.37D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.58D-09 5.81D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 5.74D-12 2.93D-07.
     10 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.07D-14 1.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.75D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.75D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.44D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.140830D+03  0.173309D+01 -0.676153D+00
      2   0.173309D+01  0.134146D+03  0.188989D+01
      3  -0.676153D+00  0.188989D+01  0.130408D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.155141D+00 -0.521586D+01  0.254285D+01
      2   0.257296D+01 -0.492246D+01  0.237369D+02
      3   0.561690D+01 -0.194654D+02  0.579622D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.227446D+02 -0.157831D+02  0.128849D+02
      2  -0.156977D+02  0.636714D+01 -0.763036D+01
      3  -0.704695D+01  0.941591D+01 -0.525449D+01
      4  -0.189210D+02  0.372404D+02 -0.170419D+02
      5   0.929931D+01 -0.171234D+02  0.483005D+02
      6  -0.891768D+01 -0.136297D+02 -0.368020D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.265704D+01  0.211702D+01  0.766510D+01  0.146644D+01  0.337016D+01
      2   0.211702D+01  0.394618D+01  0.507913D+00  0.337016D+01 -0.828045D+01
      3   0.766510D+01  0.507913D+00  0.393261D+01 -0.137369D-01 -0.219935D+01
                 6             7             8             9            10 
      1  -0.137369D-01  0.948674D+01  0.750488D+00  0.281138D+01 -0.656960D+01
      2  -0.219935D+01  0.750488D+00 -0.209765D+01  0.545969D+01 -0.275494D+01
      3   0.415265D+01  0.281138D+01  0.545969D+01 -0.140519D+01 -0.575551D+01
                11            12            13            14            15 
      1  -0.275494D+01 -0.575551D+01 -0.365897D+01  0.969774D+00  0.305888D+01
      2   0.112802D+01  0.277851D+01  0.969774D+00  0.871501D+00  0.402961D+01
      3   0.277851D+01 -0.954341D+00  0.305888D+01  0.402961D+01 -0.542258D+01
                16            17            18            19            20 
      1  -0.588280D+01  0.286815D+01 -0.300640D+01  0.324368D+01 -0.558696D+00
      2   0.286815D+01  0.305469D+01 -0.378390D+01 -0.558696D+00 -0.188199D+01
      3  -0.300640D+01 -0.378390D+01 -0.216099D+01  0.597386D+01 -0.362485D+01
                21            22            23            24            25 
      1   0.597386D+01  0.104182D+01 -0.319620D+00 -0.543647D+01  0.393375D+01
      2  -0.362485D+01 -0.319620D+00  0.620715D+00 -0.319716D+01 -0.326482D+01
      3  -0.115078D+01 -0.543647D+01 -0.319716D+01  0.330681D+01 -0.317319D+00
                26            27            28            29            30 
      1  -0.326482D+01 -0.317319D+00 -0.532189D+01 -0.334254D+01  0.330423D+01
      2  -0.432152D+01  0.204954D+01 -0.334254D+01  0.516460D+01  0.127407D+01
      3   0.204954D+01  0.377378D+01  0.330423D+01  0.127407D+01 -0.336274D+00
                31            32            33            34            35 
      1  -0.131557D+01  0.413322D+01  0.141333D+01  0.267096D+01  0.135684D+01
      2   0.413322D+01 -0.488391D+01  0.274174D+01  0.135684D+01  0.216657D+01
      3   0.141333D+01  0.274174D+01  0.255476D+01 -0.119757D+00  0.197169D+01
                36            37            38            39            40 
      1  -0.119757D+00  0.123913D+01 -0.176653D+01 -0.568137D+01  0.136495D+00
      2   0.197169D+01 -0.176653D+01 -0.436352D+01 -0.222333D+01 -0.599963D+01
      3  -0.352070D+01 -0.568137D+01 -0.222333D+01 -0.238499D+01 -0.252777D+01
                41            42            43            44            45 
      1  -0.599963D+01 -0.252777D+01 -0.455598D+01 -0.227511D+01 -0.259149D+01
      2   0.660261D+01 -0.211815D+01 -0.227511D+01 -0.215962D+00 -0.486828D+01
      3  -0.211815D+01 -0.364014D+01 -0.259149D+01 -0.486828D+01  0.259059D+01
                46            47            48            49            50 
      1   0.112611D+02  0.427513D+01  0.101142D+00  0.404222D+01 -0.131566D+01
      2   0.427513D+01 -0.464200D+01 -0.424636D+01 -0.131566D+01 -0.939858D+00
      3   0.101142D+00 -0.424636D+01 -0.236174D+01 -0.263716D+01 -0.126644D+01
                51            52            53            54            55 
      1  -0.263716D+01  0.217121D+00 -0.185721D+01  0.489782D+00 -0.195668D+01
      2  -0.126644D+01 -0.185721D+01 -0.770681D+00  0.655320D+00 -0.145850D+01
      3   0.328271D+00  0.489782D+00  0.655320D+00  0.230637D+01  0.182863D+01
                56            57            58            59            60 
      1  -0.145850D+01  0.182863D+01 -0.212353D+01  0.502568D+01  0.149214D+01
      2   0.640672D+01  0.185510D+01  0.502568D+01 -0.435333D+01  0.172396D+01
      3   0.185510D+01  0.191494D+01  0.149214D+01  0.172396D+01  0.259358D+01
                61            62            63            64            65 
      1   0.419473D+00 -0.619173D+00  0.154041D+01  0.211939D+01  0.285077D+01
      2  -0.619173D+00  0.223027D+01  0.824968D+00  0.285077D+01 -0.251047D+00
      3   0.154041D+01  0.824968D+00 -0.783785D+01  0.662208D+01 -0.168142D+01
                66            67            68            69            70 
      1   0.662208D+01  0.201571D+01 -0.939335D+00 -0.185142D+01  0.552812D+01
      2  -0.168142D+01 -0.939335D+00  0.119055D+00 -0.400925D+01 -0.198914D+01
      3   0.133038D+01 -0.185142D+01 -0.400925D+01  0.350044D+01  0.126771D+01
                71            72            73            74            75 
      1  -0.198914D+01  0.126771D+01 -0.208265D+02 -0.408878D+01  0.151494D+01
      2  -0.410338D+01  0.432255D+01 -0.408878D+01 -0.138481D+01  0.142274D+01
      3   0.432255D+01  0.106619D+01  0.151494D+01  0.142274D+01 -0.137208D+01
                76            77            78            79            80 
      1  -0.460947D+01 -0.439981D+01  0.824644D+00  0.447771D+00  0.262589D+00
      2  -0.439981D+01 -0.268388D+01  0.913074D+00  0.262589D+00  0.199531D+00
      3   0.824644D+00  0.913074D+00 -0.482378D+00 -0.386055D+01 -0.112774D+01
                81            82            83            84            85 
      1  -0.386055D+01 -0.183224D+01 -0.239223D+01 -0.582839D+01 -0.316795D+01
      2  -0.112774D+01 -0.239223D+01 -0.203468D+01 -0.437880D+00 -0.321843D+01
      3  -0.119263D+00 -0.582839D+01 -0.437880D+00 -0.261077D+01 -0.544565D+00
                86            87            88            89            90 
      1  -0.321843D+01 -0.544565D+00 -0.692973D+01 -0.544573D+00 -0.343984D+01
      2   0.779811D+01  0.252940D+01 -0.544573D+00  0.236430D+01 -0.377491D+01
      3   0.252940D+01 -0.393324D+01 -0.343984D+01 -0.377491D+01  0.343131D+01
                91            92            93            94            95 
      1   0.271045D+01 -0.748995D+00 -0.681011D+01 -0.121042D+01 -0.254450D+01
      2  -0.748995D+00 -0.224143D+01 -0.950714D+00 -0.254450D+01  0.795571D+01
      3  -0.681011D+01 -0.950714D+00 -0.233235D+01 -0.118465D+01  0.148154D+01
                96            97            98            99           100 
      1  -0.118465D+01 -0.620815D+01 -0.119664D+01 -0.239485D+01  0.314051D+01
      2   0.148154D+01 -0.119664D+01  0.261585D+01 -0.368850D+01 -0.491059D+00
      3  -0.434772D+01 -0.239485D+01 -0.368850D+01 -0.786905D+00 -0.316428D+01
               101           102           103           104           105 
      1  -0.491059D+00 -0.316428D+01 -0.138702D+01  0.893389D+00  0.189854D+01
      2   0.155876D+01  0.100231D+01  0.893389D+00 -0.146127D+01 -0.119613D+01
      3   0.100231D+01  0.438351D+01  0.189854D+01 -0.119613D+01 -0.346083D+01
               106           107           108           109           110 
      1  -0.246515D+01  0.683289D+00  0.287459D+01 -0.593702D+01  0.128066D+01
      2   0.683289D+00 -0.106890D+01 -0.140342D+01  0.128066D+01 -0.174343D+01
      3   0.287459D+01 -0.140342D+01 -0.828377D+01 -0.458837D+01  0.167506D+01
               111           112           113           114           115 
      1  -0.458837D+01  0.107737D+01 -0.116522D+01  0.116782D+01 -0.262569D+01
      2   0.167506D+01 -0.116522D+01  0.121643D+01 -0.107220D+01  0.100146D+01
      3  -0.471645D+01  0.116782D+01 -0.107220D+01  0.102995D+01 -0.263703D+01
               116           117           118           119           120 
      1   0.100146D+01 -0.263703D+01 -0.126032D+01  0.262722D+01 -0.834652D+00
      2  -0.694009D+00  0.853556D+00  0.262722D+01 -0.493751D+01  0.860123D+00
      3   0.853556D+00 -0.484564D+01 -0.834652D+00  0.860123D+00 -0.109330D+01
               121           122           123           124           125 
      1   0.191152D+01 -0.252770D+01  0.323359D+00 -0.453713D+00 -0.897638D-02
      2  -0.252770D+01  0.111197D+02 -0.214472D+01 -0.897638D-02 -0.103454D+01
      3   0.323359D+00 -0.214472D+01  0.156356D+01 -0.504380D+00  0.125688D+01
               126           127           128           129           130 
      1  -0.504380D+00  0.866008D+01  0.353270D+01 -0.284669D+01  0.190910D+01
      2   0.125688D+01  0.353270D+01  0.298179D+01 -0.150560D+01  0.172343D+01
      3  -0.388277D+00 -0.284669D+01 -0.150560D+01  0.257393D+01 -0.895142D+00
               131           132           133           134           135 
      1   0.172343D+01 -0.895142D+00 -0.246912D+01 -0.114916D+01  0.196312D+01
      2   0.231967D+01 -0.105781D+01 -0.114916D+01 -0.129864D+01  0.811005D+00
      3  -0.105781D+01  0.470248D+00  0.196312D+01  0.811005D+00 -0.160767D+01
               136           137           138           139           140 
      1  -0.943343D-01  0.177543D+00  0.152757D+01 -0.422110D+00 -0.534708D+00
      2   0.177543D+00 -0.854347D+00 -0.527359D+00 -0.534708D+00  0.404464D+00
      3   0.152757D+01 -0.527359D+00 -0.172829D+01  0.219815D+00  0.103113D+01
               141           142           143           144           145 
      1   0.219815D+00  0.211285D+01 -0.143021D+00 -0.179199D+01 -0.346645D+01
      2   0.103113D+01 -0.143021D+00  0.178735D+01  0.122674D+01  0.339180D+01
      3  -0.127431D+01 -0.179199D+01  0.122674D+01  0.118766D+02  0.229897D+00
               146           147           148           149           150 
      1   0.339180D+01  0.229897D+00  0.360511D+01 -0.391572D+01 -0.575641D+00
      2  -0.473611D+01 -0.945487D+00 -0.391572D+01  0.941786D+01  0.521007D+00
      3  -0.945487D+00 -0.105164D+01 -0.575641D+00  0.521007D+00  0.126632D+01
               151           152           153           154           155 
      1  -0.108253D+01  0.784454D+00 -0.516606D+00  0.504109D+01  0.324988D+01
      2   0.784454D+00 -0.152154D+01  0.115799D+01  0.324988D+01  0.347855D+01
      3  -0.516606D+00  0.115799D+01  0.825725D+00  0.351613D+01  0.201530D+01
               156           157           158           159           160 
      1   0.351613D+01  0.199843D+01  0.290385D+01  0.129079D+01  0.329822D+01
      2   0.201530D+01  0.290385D+01  0.375401D+01  0.245712D+01  0.193992D+01
      3   0.319462D+01  0.129079D+01  0.245712D+01  0.249823D+01  0.306952D+01
               161           162           163           164           165 
      1   0.193992D+01  0.306952D+01 -0.637217D+01 -0.215545D+01 -0.427546D+01
      2   0.275038D+01  0.326954D+01 -0.215545D+01 -0.257671D+01 -0.141797D+01
      3   0.326954D+01  0.459603D+01 -0.427546D+01 -0.141797D+01 -0.401532D+01
               166           167           168           169           170 
      1  -0.628698D+00 -0.109295D+01 -0.205220D+00 -0.381546D+01 -0.912687D+00
      2  -0.109295D+01 -0.378664D+00 -0.414534D+00 -0.912687D+00 -0.996536D+00
      3  -0.205220D+00 -0.414534D+00 -0.450052D+00 -0.312039D+01 -0.185079D+01
               171           172           173           174           175 
      1  -0.312039D+01 -0.879115D+00 -0.139269D+01  0.149773D-02 -0.116528D+01
      2  -0.185079D+01 -0.139269D+01 -0.118556D+01  0.600148D+00 -0.100646D+01
      3  -0.421811D+01  0.149773D-02  0.600148D+00 -0.543450D+00  0.476086D+00
               176           177           178           179           180 
      1  -0.100646D+01  0.476086D+00  0.786264D+00  0.105393D+01 -0.446225D+00
      2  -0.695010D+01  0.286739D+01  0.105393D+01  0.546725D+01 -0.268783D+01
      3   0.286739D+01 -0.232956D+01 -0.446225D+00 -0.268783D+01  0.362992D+01
               181           182           183           184           185 
      1   0.404474D+01 -0.207074D+01 -0.287659D+01 -0.135557D+01  0.173598D+01
      2  -0.207074D+01  0.334545D+01  0.207863D+01  0.173598D+01 -0.227950D+01
      3  -0.287659D+01  0.207863D+01  0.304837D+01  0.119134D+01 -0.110360D+01
               186           187           188           189           190 
      1   0.119134D+01 -0.272644D+01  0.139163D+01  0.194194D+01  0.106798D+01
      2  -0.110360D+01  0.139163D+01 -0.196793D+01 -0.258885D+01  0.103728D+01
      3  -0.159308D+01  0.194194D+01 -0.258885D+01 -0.401703D+01 -0.112985D+01
               191           192           193           194           195 
      1   0.103728D+01 -0.112985D+01  0.209327D+01  0.533827D+00 -0.623313D+00
      2   0.381652D+00 -0.322990D+00  0.533827D+00  0.116752D+01 -0.178932D+01
      3  -0.322990D+00  0.163531D+01 -0.623313D+00 -0.178932D+01  0.256078D+01
               196           197           198           199           200 
      1  -0.255967D+01 -0.207658D+00  0.248379D+01  0.138769D+01 -0.144957D+01
      2  -0.207658D+00 -0.218068D+01  0.215038D+01 -0.144957D+01  0.146785D+01
      3   0.248379D+01  0.215038D+01 -0.668908D+01  0.106427D+00  0.314650D+00
               201           202           203           204           205 
      1   0.106427D+00 -0.344032D+01  0.354668D+01  0.730998D+00  0.168261D+00
      2   0.314650D+00  0.354668D+01 -0.970733D+01 -0.160658D+01  0.477933D+00
      3   0.439619D+00  0.730998D+00 -0.160658D+01 -0.139654D+01  0.913716D+00
               206           207           208           209           210 
      1   0.477933D+00  0.913716D+00  0.900260D+01  0.122284D+01  0.342226D+01
      2  -0.134910D+01 -0.100483D+01  0.122284D+01  0.133072D+01  0.386496D+00
      3  -0.100483D+01 -0.970037D+00  0.342226D+01  0.386496D+00  0.229921D+01
               211           212           213           214           215 
      1   0.312160D+01  0.180384D+01  0.943518D+00  0.653459D+01  0.522186D+00
      2   0.180384D+01  0.220769D+00  0.484394D+00  0.522186D+00  0.961223D+00
      3   0.943518D+00  0.484394D+00  0.126190D+01  0.326211D+01  0.854988D+00
               216           217           218           219           220 
      1   0.326211D+01 -0.620196D+01  0.163465D-01  0.303352D+01  0.254708D+00
      2   0.854988D+00  0.163465D-01 -0.165362D+01  0.117017D+01 -0.844222D+00
      3   0.279652D+01  0.303352D+01  0.117017D+01 -0.372381D+01  0.437945D+00
               221           222           223           224           225 
      1  -0.844222D+00  0.437945D+00  0.262005D+01  0.465667D+00 -0.203573D+01
      2  -0.673029D+00  0.321791D+00  0.465667D+00  0.427518D+00 -0.125459D+00
      3   0.321791D+00  0.369481D+00 -0.203573D+01 -0.125459D+00  0.337928D+01
               226           227           228           229           230 
      1   0.444844D+01  0.321425D+00  0.422755D+01  0.155666D+01  0.108561D+01
      2   0.321425D+00  0.144889D+01  0.113455D+00  0.108561D+01  0.138215D+00
      3   0.422755D+01  0.113455D+00  0.499551D+01  0.127406D+01  0.803260D+00
               231           232           233           234           235 
      1   0.127406D+01  0.340882D+01  0.291429D+00  0.383506D+01  0.694333D+00
      2   0.803260D+00  0.291429D+00  0.726334D+00  0.652028D+00 -0.142989D+01
      3   0.265371D+01  0.383506D+01  0.652028D+00  0.698423D+01  0.716441D+00
               236           237           238           239           240 
      1  -0.142989D+01  0.716441D+00 -0.174555D+01  0.209852D+01 -0.248175D+00
      2   0.184758D+01 -0.170704D+00  0.209852D+01 -0.111350D+02  0.126982D+01
      3  -0.170704D+00  0.627543D+00 -0.248175D+00  0.126982D+01 -0.178024D+01
               241           242           243 
      1   0.141441D+00  0.318207D+00  0.329424D+00
      2   0.318207D+00 -0.113020D+01 -0.612344D+00
      3   0.329424D+00 -0.612344D+00 -0.406061D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.191316D+01  0.130230D+01  0.215870D+01  0.321141D+01 -0.733555D+01
      2   0.120341D+02 -0.273372D+00  0.436760D+01  0.231125D+01 -0.540894D+01
      3   0.134009D+01 -0.824929D+01 -0.260442D+01  0.599583D+00  0.923235D+01
                 6             7             8             9            10 
      1  -0.421194D+01  0.561903D+01  0.451297D+01  0.209597D+01 -0.515454D+01
      2   0.368812D+01 -0.323076D+01  0.412091D+01 -0.335105D+01 -0.342385D+01
      3   0.341705D+01 -0.298562D+01  0.380991D+01 -0.439377D+01 -0.257031D+01
                11            12            13            14            15 
      1  -0.312835D+01  0.128431D+01  0.184668D+01  0.509284D+01 -0.141343D+02
      2  -0.389881D+01  0.213236D+01 -0.443256D+01 -0.290221D+00  0.170233D+01
      3  -0.359615D+01  0.483027D+01  0.882761D+01  0.482521D+00  0.139243D+01
                16            17            18            19            20 
      1  -0.754779D+01 -0.438662D-02 -0.240886D+01  0.557017D+01  0.512973D+01
      2  -0.776999D+01  0.474107D+01 -0.701396D+01  0.649747D+01 -0.154697D+01
      3   0.440741D+01  0.328320D+01  0.166493D+00 -0.431416D+00 -0.524877D+01
                21            22            23            24            25 
      1   0.521641D+01 -0.123103D+01  0.231551D+01  0.715180D+01  0.599971D+01
      2   0.138952D+02 -0.885234D+00 -0.966335D+00 -0.986777D+01  0.486306D+01
      3   0.648596D+00  0.423299D+00 -0.253456D+00 -0.191989D+01  0.123734D+01
                26            27            28            29            30 
      1   0.122044D+02 -0.136266D+01 -0.632760D+01 -0.782931D+01 -0.136782D+01
      2  -0.925083D+01  0.114170D+01 -0.241100D+01 -0.225207D+01  0.608769D+01
      3  -0.220416D+01  0.489863D+00 -0.105272D+02 -0.152666D+02  0.726619D+01
                31            32            33            34            35 
      1  -0.711822D+01 -0.309377D+01 -0.131077D+02 -0.370946D+00 -0.622400D+01
      2  -0.495815D+00  0.600137D+01  0.382276D+01  0.636875D+00  0.276581D+01
      3  -0.435754D+01  0.149120D+02  0.664343D+00  0.655560D+01  0.196730D+01
                36            37            38            39            40 
      1   0.781855D+01  0.489316D+01  0.113964D+01  0.659163D+00  0.318265D+00
      2  -0.517988D+01 -0.714554D+01 -0.129411D+01  0.513498D+01 -0.166948D+01
      3  -0.196854D+01  0.625703D+01 -0.313078D+01 -0.500772D+01  0.713494D+01
                41            42            43            44            45 
      1   0.682313D+01  0.158416D+01 -0.819021D+00  0.100111D+02 -0.931278D+01
      2   0.227509D+01 -0.157419D+01 -0.311277D+01 -0.121594D+01  0.384011D+01
      3  -0.121126D+02 -0.184140D+01 -0.403467D+01 -0.231087D+01 -0.236260D+00
                46            47            48            49            50 
      1   0.381430D+01  0.171256D+01  0.534312D+01  0.420578D+01 -0.148836D+02
      2  -0.347116D+01  0.837578D+01 -0.437911D+01  0.705801D+01 -0.360236D+01
      3   0.139488D+00  0.310484D+01 -0.795620D+01  0.648074D+01  0.297327D+01
                51            52            53            54            55 
      1  -0.755534D+00  0.230502D+01  0.110096D+02  0.155062D+02 -0.621993D+01
      2  -0.856299D+00 -0.120405D+02  0.857935D+00  0.627501D+01  0.309920D+01
      3  -0.290105D+01 -0.826058D+01 -0.323428D+01  0.539672D+00 -0.622127D+01
                56            57            58            59            60 
      1   0.745256D+01 -0.252148D+01  0.583545D+01 -0.711455D+01 -0.782837D+01
      2   0.111491D+01 -0.458946D+01  0.112498D+01 -0.792178D+01 -0.254136D+01
      3   0.412366D+01  0.633456D+01  0.775358D+01  0.164260D+01  0.129656D+01
                61            62            63            64            65 
      1  -0.650650D+00  0.638492D+01  0.147620D+02  0.847821D+01 -0.187601D+01
      2  -0.949420D+01  0.514879D+00  0.943350D+01 -0.244871D+01  0.560759D+01
      3   0.429041D+01 -0.530202D+00  0.309909D+01 -0.239110D+01 -0.109790D+02
                66            67            68            69            70 
      1   0.468437D+01 -0.338628D+01 -0.899091D+01  0.101425D+02  0.393520D+01
      2   0.956558D+01  0.332816D+01  0.239517D+01 -0.476708D+01  0.327143D+01
      3  -0.157037D+02 -0.250581D+01  0.195988D+01  0.957218D+00 -0.129097D+02
                71            72            73            74            75 
      1   0.186602D+02 -0.306009D+01 -0.486750D-01 -0.443477D+00 -0.595133D+01
      2  -0.663861D+01  0.932363D+00  0.354926D+01  0.668326D+00  0.167091D+02
      3  -0.194279D+00 -0.565562D-01 -0.375298D+01 -0.178115D+02  0.281971D-01
                76            77            78            79            80 
      1  -0.300427D+01  0.305871D+01 -0.229547D+01  0.101420D+01 -0.114072D+01
      2  -0.193458D+01  0.313045D+01  0.419823D+01  0.496503D+01  0.654071D+00
      3  -0.348509D+01 -0.894021D+01  0.276428D+00  0.726447D+00  0.100346D+01
                81            82            83            84            85 
      1  -0.577427D+01 -0.308973D+01  0.628997D-01 -0.220096D+01 -0.279128D+00
      2  -0.193700D+01 -0.145770D+02 -0.911212D+00 -0.624308D+01 -0.231513D+01
      3  -0.308755D+01  0.683597D+01  0.506986D+01  0.399112D+01  0.149416D+02
                86            87            88            89            90 
      1   0.107830D+01 -0.560396D+01 -0.512321D+01 -0.556953D+00  0.374050D+01
      2   0.725053D+01 -0.101715D+02 -0.159233D+02 -0.896606D+01  0.109182D+02
      3  -0.190468D+02 -0.764157D+01  0.556130D+01 -0.708079D+01  0.121804D+02
                91            92            93            94            95 
      1  -0.106674D+02 -0.523408D+01 -0.439920D+01 -0.734942D+01  0.197704D+02
      2  -0.135932D+02 -0.697680D+00  0.159131D+02 -0.893879D-01  0.599848D+01
      3  -0.388861D+01  0.622087D-01  0.109301D+02  0.559674D+01 -0.529007D+01
                96            97            98            99           100 
      1  -0.654709D+01 -0.475470D+01  0.321892D+01 -0.105054D+02  0.534447D+00
      2  -0.164433D+01  0.779367D+01 -0.217325D+01  0.345862D+01  0.777905D+01
      3   0.331635D-01  0.880491D+01 -0.180667D+01  0.610661D+01  0.130312D+01
               101           102           103           104           105 
      1  -0.555024D+01 -0.263682D+01 -0.493775D+00  0.458731D+01 -0.278011D+00
      2  -0.175341D+01 -0.392677D+01 -0.316461D+01  0.167870D+01  0.213729D+01
      3  -0.162544D+01 -0.112716D+01  0.781724D+00  0.376585D+00  0.349967D+00
               106           107           108           109           110 
      1  -0.208751D+01  0.590849D+01  0.385774D+01 -0.424372D+00  0.441337D+01
      2  -0.699934D+01  0.174925D+01  0.403489D+01 -0.132765D+02  0.181588D+01
      3  -0.436856D+00  0.161991D+01  0.798081D+00 -0.380982D+01 -0.206118D+01
               111           112           113           114           115 
      1  -0.347504D+00  0.132363D+01 -0.203811D+01 -0.386724D+00  0.135310D+00
      2  -0.527690D+01  0.281853D+01 -0.199667D+01  0.225141D+01 -0.648292D+01
      3  -0.206782D+01  0.178152D+01  0.212573D+00  0.661818D+00 -0.190602D+01
               116           117           118           119           120 
      1   0.205249D+01  0.541594D+00 -0.372332D+00  0.364843D+01  0.340338D+01
      2   0.183167D+01 -0.425159D+01 -0.237069D+01  0.275001D+01 -0.979024D-02
      3  -0.538952D+00 -0.172404D+01 -0.592566D+01  0.757064D+01 -0.214557D+01
               121           122           123           124           125 
      1   0.226532D+01 -0.644243D+01 -0.512783D+01  0.112310D+01  0.757449D-01
      2   0.255728D+01 -0.411953D+01  0.575455D+00 -0.172589D+01  0.113739D+01
      3   0.917359D+01 -0.122157D+02  0.172621D+01 -0.117788D+01  0.751655D+00
               126           127           128           129           130 
      1  -0.826467D+00  0.330894D+01 -0.108777D+01 -0.553762D+01  0.242290D+00
      2  -0.207972D+00  0.753396D+01  0.174458D+01  0.204323D+01  0.103216D+01
      3  -0.218066D+01  0.177797D+02  0.166418D+01 -0.455078D+01  0.337589D+01
               131           132           133           134           135 
      1   0.691143D+00 -0.963724D+00 -0.323757D+01  0.161032D+01  0.211051D+01
      2   0.734266D+00  0.184431D+00 -0.245271D+01 -0.569198D+00 -0.213907D+00
      3   0.128310D+01 -0.122047D+01 -0.487419D+01 -0.854277D+00  0.369835D+01
               136           137           138           139           140 
      1  -0.155292D+01  0.369542D+00  0.304773D+01  0.387572D+00 -0.164004D+01
      2  -0.146624D+01  0.683696D+00  0.150191D+01  0.704592D+00 -0.155859D+00
      3   0.408111D+00 -0.244762D+01  0.916258D+00 -0.113316D+00 -0.156850D+01
               141           142           143           144           145 
      1   0.450021D+01  0.303352D+01  0.175151D+01 -0.207702D+02  0.394166D+01
      2   0.254685D+01 -0.353929D+01 -0.140866D+01 -0.118582D+02  0.398239D+01
      3   0.117883D+01  0.294066D+01  0.231642D+01 -0.284843D+01 -0.153165D+01
               146           147           148           149           150 
      1  -0.782876D+01  0.173535D+00 -0.492916D+01  0.132566D+02 -0.276862D+01
      2  -0.410577D+01  0.263553D+01 -0.449458D+01  0.638486D+01 -0.125342D+01
      3  -0.249014D+01 -0.101968D+01  0.449057D+01  0.532560D+01 -0.448073D+00
               151           152           153           154           155 
      1   0.143652D+01 -0.391174D+01  0.584002D+00 -0.246068D+01  0.132443D+01
      2   0.112808D+01 -0.217956D+01  0.662333D+00 -0.219340D+01 -0.701158D+00
      3  -0.144957D+01 -0.132345D+01  0.362035D+00  0.608810D+01 -0.432893D+00
               156           157           158           159           160 
      1  -0.413725D+01 -0.481503D+00 -0.199022D+00 -0.447890D+01 -0.229812D+01
      2   0.199645D+01 -0.168694D+01 -0.284947D+00  0.159252D+01 -0.224917D+01
      3   0.344274D+01  0.340510D+01  0.799333D+00  0.589701D+00  0.446327D+01
               161           162           163           164           165 
      1   0.210342D+00 -0.478329D+01 -0.527524D+01  0.178455D+01 -0.683137D+01
      2   0.128339D+01  0.252936D+01 -0.655439D+01 -0.114387D+01  0.218550D+00
      3  -0.710278D+00  0.169764D+01  0.131448D+02 -0.363594D+00  0.772035D+01
               166           167           168           169           170 
      1   0.186600D+00 -0.220956D+00 -0.162070D+01 -0.527359D+01 -0.197168D+00
      2  -0.594226D+00 -0.116397D+01  0.228630D-01 -0.433760D+01 -0.517858D-01
      3   0.161467D+01  0.177724D+01  0.694341D+00  0.794986D+01  0.348750D+00
               171           172           173           174           175 
      1  -0.605084D+01  0.158118D+01  0.245724D+01 -0.151839D+01  0.242046D+01
      2  -0.143622D+00 -0.662124D+00 -0.198022D+01  0.131080D+01 -0.711424D+00
      3   0.554847D+01  0.103645D+01  0.103023D+01 -0.660827D-03  0.431488D+01
               176           177           178           179           180 
      1   0.134408D+02 -0.117207D+02 -0.133071D+01 -0.106999D+02  0.135247D+02
      2  -0.321072D+01  0.251048D+01 -0.443181D+00  0.314086D+01 -0.387951D+01
      3  -0.240431D+01  0.820307D+00 -0.282840D+01  0.172115D+01 -0.123358D+01
               181           182           183           184           185 
      1  -0.322660D+01 -0.185390D+01  0.454690D+01  0.421435D+00  0.578227D+00
      2   0.859207D+01 -0.344691D+01 -0.330217D+01 -0.258401D+01  0.240114D+01
      3  -0.117442D+02  0.373373D+01  0.675511D+01  0.507072D+01 -0.369033D+01
               186           187           188           189           190 
      1  -0.336391D+01  0.220471D+01 -0.494394D+00 -0.469740D+01 -0.113721D+01
      2   0.165678D+01 -0.613345D+01  0.289589D+01  0.350525D+01 -0.237685D+01
      3  -0.286769D+01  0.711708D+01 -0.256781D+01 -0.515987D+01 -0.277824D+01
               191           192           193           194           195 
      1  -0.637537D+00  0.708766D+00 -0.740635D-01 -0.274193D+01  0.157651D+01
      2  -0.306475D+00  0.404413D+01  0.486294D+00 -0.529279D+01  0.801825D+01
      3  -0.204103D+01  0.158036D+01 -0.404451D+00 -0.515909D+01  0.581399D+01
               196           197           198           199           200 
      1   0.104064D+01  0.518417D+01 -0.441330D+01  0.399426D+00 -0.581814D+00
      2   0.132862D+01  0.703861D+01 -0.189559D+02  0.353378D+00  0.321176D+00
      3   0.759006D+00  0.762807D+01 -0.761391D+01  0.303794D+01 -0.393066D+01
               201           202           203           204           205 
      1   0.576016D+00  0.530558D-01  0.159398D+01 -0.389112D+01  0.430050D+00
      2   0.193586D+01  0.867904D+00 -0.409772D+01 -0.478616D+01  0.102520D+01
      3  -0.780367D+00 -0.272513D+01  0.244560D+02  0.390807D+01 -0.869274D+00
               206           207           208           209           210 
      1   0.754306D+00 -0.848004D+00  0.219297D+01  0.108090D+01  0.108430D+01
      2  -0.220173D+01 -0.261008D+01  0.940971D+01  0.181253D+01  0.983349D+01
      3   0.398716D+01  0.197495D+01 -0.793597D+01 -0.688059D+01 -0.330992D+01
               211           212           213           214           215 
      1   0.894758D+00  0.794900D+00 -0.303953D+00  0.249263D+01  0.193682D+01
      2   0.253034D+01  0.125238D+01  0.421656D+01  0.672712D+01  0.240715D+01
      3  -0.455257D+01 -0.215025D+01 -0.155513D+01 -0.472092D+01 -0.428125D+01
               216           217           218           219           220 
      1   0.106110D+01  0.514255D+01 -0.394593D+01 -0.264206D+01 -0.197025D+01
      2   0.896593D+01  0.184984D+02 -0.573554D+00 -0.621556D+01 -0.743145D+00
      3  -0.410158D+01  0.975233D+01 -0.201872D+01 -0.421825D+01  0.662888D+00
               221           222           223           224           225 
      1  -0.745860D-02  0.177058D+00 -0.227384D+01  0.211559D+01  0.344102D+01
      2   0.239713D+01 -0.412135D+00 -0.904930D+01 -0.582855D+00  0.532004D+01
      3   0.152219D+01 -0.833757D+00 -0.401790D+01  0.235504D+00  0.259798D+01
               226           227           228           229           230 
      1   0.590622D+01  0.478405D+01  0.607219D+01  0.338140D+01  0.195488D+01
      2  -0.568233D+01 -0.111930D+01 -0.791343D+00 -0.241965D+01 -0.102423D+01
      3  -0.478925D+01 -0.384701D+01 -0.454101D+01 -0.165624D+01 -0.166539D+01
               231           232           233           234           235 
      1   0.338229D+01  0.515345D+01  0.490840D+01  0.934904D+01 -0.171917D+01
      2   0.702122D+00 -0.651497D+01  0.186306D-01  0.428431D-01 -0.147751D-01
      3  -0.201311D+01 -0.440033D+01 -0.226807D+01 -0.503333D+01  0.305662D+00
               236           237           238           239           240 
      1   0.333498D+01  0.113292D+01  0.366181D+01 -0.212745D+02 -0.433207D+01
      2   0.205643D+01  0.614655D+00  0.340128D+01 -0.236348D+01 -0.195219D+01
      3  -0.101323D+01 -0.356801D+00  0.378454D+01  0.841169D+01 -0.878862D+00
               241           242           243 
      1   0.713436D+00 -0.220592D+01 -0.263322D+01
      2  -0.653809D+00 -0.789210D+00 -0.111697D+01
      3   0.586235D-01  0.123284D+01  0.378461D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127281D+02  0.428389D+01  0.166572D+02  0.559619D+01  0.978342D+01
      2  -0.671509D+00 -0.290290D+01 -0.107454D+02 -0.457969D+01 -0.238943D+01
      3   0.133996D+02 -0.138099D+01 -0.591180D+01 -0.101650D+01 -0.739399D+01
      4  -0.686134D+00  0.474720D+01 -0.623063D+01  0.685751D+01 -0.152592D+02
      5   0.144889D+02 -0.130131D+01  0.885779D+01  0.946782D+00  0.493908D+00
      6  -0.932929D+01  0.280189D+01 -0.171648D+01  0.364450D+01 -0.646260D+01
                 6             7             8             9            10 
      1  -0.501680D+01  0.207064D+02 -0.312549D+01  0.113392D+02  0.196238D+01
      2  -0.423821D+01 -0.110442D+02 -0.188766D+01 -0.547284D+01 -0.128148D+01
      3   0.925501D+01 -0.966219D+01  0.501315D+01 -0.586634D+01 -0.680898D+00
      4  -0.719712D+00 -0.556689D+01 -0.523712D+00  0.230262D+01  0.748477D+01
      5   0.723897D+01  0.112222D+02  0.627555D+01 -0.269291D+01 -0.315341D+01
      6  -0.455841D+01 -0.210168D+01 -0.537128D+01  0.303585D+01  0.890438D+01
                11            12            13            14            15 
      1   0.605027D+01  0.121735D+01  0.102650D+02 -0.103299D+01 -0.165768D+02
      2  -0.227727D+01  0.523928D+01 -0.238582D-01  0.923090D+01 -0.358697D+01
      3  -0.377300D+01 -0.645663D+01 -0.102412D+02 -0.819791D+01  0.201638D+02
      4   0.415387D+01  0.414210D+01  0.131145D+00  0.227957D+01 -0.154970D+01
      5  -0.209084D+01  0.520205D+01 -0.304761D+01 -0.239507D+01 -0.449592D+01
      6  -0.182094D+01  0.772804D+00 -0.474170D+00  0.396368D+01 -0.472869D+01
                16            17            18            19            20 
      1  -0.179363D+02 -0.855537D+01 -0.187076D+01  0.842492D+01 -0.372432D+01
      2   0.666400D+01 -0.396975D+01  0.594428D+00  0.151965D+02 -0.131943D+02
      3   0.112723D+02  0.125251D+02  0.127634D+01 -0.236214D+02  0.169186D+02
      4   0.785964D+01 -0.534756D+01  0.318057D+01  0.534409D+01 -0.368750D+01
      5   0.246292D+01 -0.213573D+00 -0.307501D+00 -0.118012D+02  0.372806D+01
      6   0.295991D-01  0.857888D+00  0.128909D+02  0.546073D+01 -0.106182D+01
                21            22            23            24            25 
      1  -0.109336D+02 -0.147936D+02 -0.749370D+01  0.175389D+02 -0.211924D+01
      2  -0.595347D+01 -0.884150D+01 -0.729420D+01  0.105392D+01 -0.742461D+01
      3   0.168870D+02  0.236351D+02  0.147879D+02 -0.185928D+02  0.954385D+01
      4   0.396497D+01 -0.306231D+01 -0.389684D+01 -0.251071D+01  0.185256D+01
      5  -0.260831D+02  0.685406D+01  0.333338D+01  0.137084D+02 -0.183428D+02
      6   0.124395D+02 -0.358162D+01 -0.507829D+01  0.791109D+01  0.948526D+01
                26            27            28            29            30 
      1   0.794557D+01  0.479253D+01 -0.633600D+01 -0.188552D+02  0.722620D+01
      2   0.124890D+01  0.155745D+02 -0.787522D+01  0.300004D+02  0.127157D+01
      3  -0.919446D+01 -0.203671D+02  0.142112D+02 -0.111452D+02 -0.849777D+01
      4  -0.210308D+01  0.466979D+01 -0.228093D+02 -0.148791D+02  0.152354D+02
      5   0.973984D+01  0.406399D+01  0.147922D+02  0.968949D+01 -0.369083D+01
      6   0.517374D+01 -0.544694D+01  0.186038D+02 -0.140962D+01 -0.623723D+01
                31            32            33            34            35 
      1  -0.123485D+02  0.196713D+02 -0.351999D+00  0.636704D+01  0.133248D+01
      2   0.212222D+02 -0.287473D+02  0.110164D+02  0.644321D+00  0.917395D+01
      3  -0.887374D+01  0.907601D+01 -0.106644D+02 -0.701136D+01 -0.105064D+02
      4  -0.488647D+01  0.147242D+02  0.247556D+01  0.131553D+02  0.415820D+01
      5   0.386776D+01 -0.413752D+01  0.198045D+00 -0.524023D+01  0.579109D+00
      6  -0.183338D+01  0.114389D+02  0.167605D+01 -0.408983D+01  0.286198D+01
                36            37            38            39            40 
      1  -0.925028D+01  0.724789D+00  0.489483D+01 -0.393195D+00  0.325521D+01
      2   0.743773D+01  0.198969D+01 -0.111841D+02 -0.408949D+01 -0.709478D+01
      3   0.181255D+01 -0.271448D+01  0.628932D+01  0.448269D+01  0.383958D+01
      4   0.331714D+01  0.112186D+01 -0.933499D+01 -0.142348D+02 -0.848121D+01
      5  -0.182033D+01 -0.669760D+01 -0.104124D+02 -0.120105D+02 -0.573955D+01
      6  -0.115513D+02 -0.158286D+02 -0.136557D+02 -0.477829D+01 -0.100195D+02
                41            42            43            44            45 
      1  -0.100776D+02  0.300173D-01 -0.370803D+01 -0.122287D+01  0.335304D+01
      2   0.136784D+02 -0.983098D+00  0.443608D+00 -0.104006D+01 -0.995792D+01
      3  -0.360081D+01  0.953081D+00  0.326442D+01  0.226293D+01  0.660487D+01
      4  -0.353987D+01 -0.643759D+01 -0.115642D+02 -0.642178D+01 -0.142946D+02
      5  -0.673400D+01 -0.899577D+01 -0.991978D+01 -0.115345D+02 -0.707682D+01
      6   0.627237D+00 -0.107037D+02 -0.791719D+01 -0.141570D+02  0.264003D+01
                46            47            48            49            50 
      1  -0.713555D+02 -0.898567D+01  0.441240D+01 -0.242563D+02  0.144491D+01
      2   0.338062D+02 -0.239802D+01 -0.445262D+01  0.114301D+02 -0.557458D+01
      3   0.375493D+02  0.113837D+02  0.402166D-01  0.128263D+02  0.412967D+01
      4  -0.174533D+02 -0.142104D+02  0.261878D+01 -0.114836D+01 -0.590595D+01
      5   0.759606D+01  0.531772D+01 -0.136144D+02  0.398589D+01  0.636420D+00
      6   0.439186D+00  0.207737D+01 -0.720626D+01  0.416998D+01 -0.595175D+01
                51            52            53            54            55 
      1   0.160936D+02  0.776566D+00  0.128841D+02 -0.716877D+00  0.314528D+01
      2  -0.570015D+00  0.237365D+01 -0.708700D+01 -0.159828D+01 -0.877874D+01
      3  -0.155236D+02 -0.315021D+01 -0.579706D+01  0.231515D+01  0.563347D+01
      4   0.236719D+01 -0.949385D+00  0.525853D+01 -0.364058D+01  0.272116D+01
      5  -0.651021D+01  0.389770D+01 -0.135037D+01  0.333860D+00 -0.261389D+01
      6  -0.409947D+01 -0.463840D+00 -0.656514D-01 -0.823064D+01  0.518247D+01
                56            57            58            59            60 
      1  -0.968294D+01 -0.868188D+01  0.195733D+01 -0.170514D+01 -0.106519D+02
      2   0.215588D+02  0.234322D+01  0.116603D+02 -0.154733D+02 -0.729956D+00
      3  -0.118759D+02  0.633866D+01 -0.136176D+02  0.171784D+02  0.113819D+02
      4  -0.168661D+02  0.476366D+00 -0.107851D+02  0.232245D+02 -0.128710D+01
      5  -0.204344D+01  0.859511D-01 -0.312423D+00  0.423898D+01 -0.648903D-01
      6   0.120050D+02  0.444770D+01  0.497442D+01  0.662355D+00  0.108491D+02
                61            62            63            64            65 
      1   0.345224D+01 -0.301785D+01  0.140194D+02  0.708852D+01 -0.698452D+01
      2  -0.698634D+01  0.985901D+01  0.195878D+02  0.535047D+01  0.291255D+01
      3   0.353410D+01 -0.684117D+01 -0.336073D+02 -0.124390D+02  0.407197D+01
      4   0.436557D+01 -0.406679D+01  0.801204D+01 -0.693113D+01 -0.124194D+02
      5   0.108674D+01  0.126283D+01  0.177682D+02 -0.116365D+02 -0.105233D+02
      6   0.156297D+01  0.647806D+01 -0.120238D+02 -0.271779D+02  0.943543D+01
                66            67            68            69            70 
      1  -0.125005D+02 -0.687624D+01 -0.856787D+00 -0.276286D+01 -0.105050D+02
      2   0.146805D+02  0.145802D+01 -0.821186D+01  0.221575D+02  0.136515D+02
      3  -0.218001D+01  0.541821D+01  0.906864D+01 -0.193946D+02 -0.314647D+01
      4  -0.245695D+02 -0.884567D+01  0.154994D+01  0.111922D+02 -0.216760D+02
      5  -0.230952D+02 -0.568548D+01  0.894069D+01  0.284262D+00 -0.199210D+02
      6  -0.782578D+00  0.925985D+01  0.169540D+02 -0.892459D+01 -0.533101D+00
                71            72            73            74            75 
      1  -0.695015D+01  0.469418D+01  0.131062D+03  0.173643D+02 -0.495817D+01
      2   0.270714D+02 -0.101952D+02 -0.632175D+02 -0.438497D+01  0.340593D+01
      3  -0.201212D+02  0.550101D+01 -0.678447D+02 -0.129794D+02  0.155224D+01
      4   0.123735D+02 -0.600998D+01  0.226824D+02  0.287398D+02 -0.207929D+01
      5  -0.127273D+01 -0.177431D+01 -0.104504D+02 -0.308539D+01  0.260157D+02
      6  -0.137594D+02 -0.852212D+01 -0.603221D+01 -0.405960D+01  0.459209D+01
                76            77            78            79            80 
      1   0.216243D+02  0.160072D+02 -0.428130D+01  0.304219D+01 -0.291139D+01
      2  -0.927862D+01 -0.436158D+00  0.194893D+01  0.168400D+01  0.130807D+01
      3  -0.123457D+02 -0.155710D+02  0.233237D+01 -0.472619D+01  0.160332D+01
      4   0.304465D+02  0.164573D+02 -0.358773D+01 -0.393012D+01 -0.265431D+01
      5  -0.621644D+01 -0.434372D+01  0.711153D+01  0.257888D+02  0.594794D+01
      6  -0.434905D+01 -0.275903D+01  0.716971D+01  0.304729D+01  0.596796D+01
                81            82            83            84            85 
      1   0.121339D+02 -0.713541D+01 -0.149456D+02 -0.312953D+02 -0.215350D+02
      2  -0.124830D+02  0.680985D+01  0.112858D+02  0.165049D+02  0.183958D+02
      3   0.349037D+00  0.325561D+00  0.365977D+01  0.147904D+02  0.313923D+01
      4   0.495171D+01 -0.128232D+02 -0.841546D+01  0.137627D+01 -0.139164D+02
      5  -0.545877D+01 -0.313762D+02 -0.161849D+01 -0.146082D+02 -0.515749D+01
      6  -0.797262D+00  0.536184D+01  0.120727D+01  0.121186D+01  0.201856D+01
                86            87            88            89            90 
      1  -0.153376D+01 -0.709942D+00 -0.374795D+02 -0.995874D+00 -0.181151D+02
      2  -0.129157D+02 -0.366959D+01  0.190730D+02 -0.379861D+01  0.147915D+02
      3   0.144494D+02  0.437953D+01  0.184065D+02  0.479449D+01  0.332354D+01
      4   0.356830D+02  0.976636D+01 -0.131859D+01  0.938648D+01 -0.129886D+02
      5   0.973788D+01 -0.164739D+02 -0.208032D+02 -0.152241D+02  0.128690D+02
      6  -0.712503D+01  0.156955D+01  0.115435D+01  0.192204D+01 -0.125193D+01
                91            92            93            94            95 
      1   0.141403D+02 -0.297475D+01 -0.117508D+02 -0.489153D+01  0.526804D+01
      2   0.145673D+02  0.111910D+02  0.172869D+02  0.144809D+02 -0.317095D+02
      3  -0.287075D+02 -0.821623D+01 -0.553611D+01 -0.958934D+01  0.264415D+02
      4  -0.789371D+01 -0.281486D+01  0.874775D+01 -0.376001D+01  0.198947D+02
      5  -0.393016D+01 -0.322410D+01 -0.295406D+02 -0.634278D+01 -0.413429D+01
      6   0.652230D+01 -0.341628D+01 -0.444638D+01 -0.553708D+01  0.166092D+02
                96            97            98            99           100 
      1   0.640196D+01 -0.107307D+02  0.784422D+01 -0.112725D+02 -0.215037D+01
      2   0.950619D+01  0.174039D+02  0.125998D+01  0.180932D+02 -0.117852D+02
      3  -0.159081D+02 -0.667321D+01 -0.910421D+01 -0.682072D+01  0.139355D+02
      4   0.213807D+01  0.784584D+01  0.508624D+01 -0.336180D+01 -0.161239D+01
      5  -0.124990D+02 -0.276724D+02 -0.920972D+01 -0.123353D+02 -0.132933D+02
      6   0.977959D+01 -0.187381D+01  0.114661D+02 -0.115820D+02 -0.405067D-03
               101           102           103           104           105 
      1  -0.171419D+00  0.921097D+01  0.376188D+01 -0.354678D+01 -0.102353D+02
      2   0.510660D+01  0.145267D+02  0.445574D+01 -0.193634D+01 -0.817526D+01
      3  -0.493518D+01 -0.237377D+02 -0.821762D+01  0.548313D+01  0.184105D+02
      4   0.283093D+01 -0.971948D-01  0.214938D+01 -0.138065D+01 -0.136304D+01
      5   0.292956D+01  0.186469D+02  0.358383D+01 -0.472868D+01 -0.587040D+01
      6  -0.569093D+01 -0.158532D+01 -0.307387D+01  0.666863D+01  0.717202D+01
               106           107           108           109           110 
      1   0.553187D+01 -0.324414D+01 -0.212471D+02  0.470576D+01  0.259284D+01
      2   0.991473D+01 -0.454114D+01 -0.270133D+02 -0.151321D+02  0.108944D+01
      3  -0.154466D+02  0.778528D+01  0.482604D+02  0.104263D+02 -0.368228D+01
      4  -0.226639D+00 -0.171763D+01 -0.161699D+01 -0.114181D+02  0.699607D+01
      5   0.148889D+02 -0.439670D+01 -0.176065D+02  0.281526D+02 -0.595426D+01
      6  -0.145627D+01  0.694867D+01  0.194571D+01 -0.913274D+01  0.923419D+01
               111           112           113           114           115 
      1  -0.333404D+01  0.173133D+01 -0.189344D+01  0.244687D+01 -0.220087D+01
      2  -0.126580D+02  0.155732D+01  0.199519D+01  0.414244D+00 -0.758688D+01
      3   0.159920D+02 -0.328865D+01 -0.101753D+00 -0.286112D+01  0.978775D+01
      4  -0.844603D+01  0.716019D+01 -0.306349D+01  0.423024D+01 -0.518394D+01
      5   0.247999D+02 -0.564323D+01  0.509002D+01 -0.592105D+01  0.165731D+02
      6  -0.111865D+02  0.656105D+01 -0.658115D+01  0.844188D+01 -0.725040D+01
               116           117           118           119           120 
      1   0.190966D+01 -0.841456D+01 -0.352426D+01  0.146437D+02 -0.450871D+01
      2   0.305051D-01 -0.144828D+02  0.108407D+02 -0.263023D+02  0.296930D+01
      3  -0.194017D+01  0.228974D+02 -0.731643D+01  0.116586D+02  0.153941D+01
      4   0.262561D+01 -0.614987D+01 -0.701581D+01  0.140104D+02 -0.368356D+01
      5  -0.488797D+01  0.164603D+02  0.148877D+01 -0.454642D+01  0.277152D+01
      6   0.609052D+01 -0.931637D+01 -0.658000D+01  0.101828D+02 -0.615078D+01
               121           122           123           124           125 
      1   0.865217D+01 -0.369354D+02  0.720914D+01 -0.162306D+01  0.436934D+01
      2  -0.142818D+02  0.668452D+02 -0.936068D+01  0.364204D-01 -0.412582D+01
      3   0.562961D+01 -0.299097D+02  0.215155D+01  0.158664D+01 -0.243518D+00
      4   0.113998D+02 -0.986130D+01  0.644247D+00 -0.214937D+01  0.316669D+00
      5  -0.384205D+01  0.299626D+01 -0.808896D+00  0.254448D+01 -0.734291D+00
      6   0.439370D+01 -0.244427D+02  0.132210D+02 -0.296393D+01  0.118436D+02
               126           127           128           129           130 
      1  -0.586190D+01  0.226461D+02  0.325626D+01 -0.214646D+01  0.200899D+01
      2   0.575101D+01 -0.390686D+01  0.620017D+01  0.994034D+00  0.337647D+01
      3   0.110888D+00 -0.187392D+02 -0.945642D+01  0.115243D+01 -0.538546D+01
      4  -0.279855D+01  0.376562D+02  0.232383D+02 -0.132607D+02  0.146839D+02
      5   0.129049D+01 -0.228018D+02 -0.102689D+02  0.128752D+02 -0.522454D+01
      6  -0.364253D+01 -0.166888D+02 -0.114813D+02  0.130673D+02 -0.645650D+01
               131           132           133           134           135 
      1  -0.129492D+01  0.806792D+00 -0.281934D+01  0.951585D+00  0.124086D+01
      2   0.970851D+01 -0.357040D+01  0.243440D+01 -0.314491D+01 -0.412265D+01
      3  -0.841359D+01  0.276361D+01  0.384944D+00  0.219333D+01  0.288179D+01
      4   0.105102D+02 -0.533684D+01 -0.108469D+02 -0.671082D+01  0.843287D+01
      5  -0.498268D+01  0.337921D+01  0.127763D+02  0.520193D+01 -0.859281D+01
      6  -0.865768D+01  0.529331D+01  0.998800D+01  0.777187D+01 -0.808442D+01
               136           137           138           139           140 
      1  -0.137154D+01  0.155050D+01  0.252372D+00  0.256166D+01 -0.380856D+01
      2  -0.463804D+01 -0.166130D+01  0.522237D+01 -0.350995D+01  0.115617D+01
      3   0.600957D+01  0.110791D+00 -0.547474D+01  0.948286D+00  0.265240D+01
      4  -0.117032D+01  0.520183D+01  0.430203D+01  0.148958D+01 -0.297167D+01
      5  -0.557499D+01  0.144857D+01  0.123289D+02 -0.258245D+01 -0.258840D+01
      6   0.243052D+01 -0.286422D+01 -0.330977D+01 -0.135566D+01  0.197928D+01
               141           142           143           144           145 
      1   0.205689D+00 -0.177127D+01 -0.626616D+01 -0.291862D+02  0.703890D+01
      2   0.709410D+01  0.633683D+01  0.118148D+01 -0.272453D+02  0.680045D+01
      3  -0.729978D+01 -0.456557D+01  0.508468D+01  0.564315D+02 -0.138393D+02
      4  -0.145845D+01  0.455680D+01 -0.361545D+01 -0.849792D+01 -0.199934D+02
      5   0.403490D+01  0.112517D+02 -0.352787D+01 -0.252951D+02 -0.457265D+01
      6   0.524282D+01 -0.441853D+01  0.103654D+02  0.254507D+02  0.432502D+01
               146           147           148           149           150 
      1   0.102878D+01  0.221803D+01 -0.383580D+00 -0.156829D+02 -0.199908D+01
      2  -0.144405D+02 -0.175606D+01 -0.125350D+02  0.423937D+02  0.147204D+01
      3   0.134117D+02 -0.461969D+00  0.129185D+02 -0.267108D+02  0.527031D+00
      4   0.259993D+02  0.377213D+01  0.214528D+02 -0.348736D+02 -0.316720D+01
      5   0.684711D+01  0.486443D+01  0.524806D+01 -0.518694D+01 -0.390262D+01
      6  -0.829566D+01 -0.505825D+01 -0.678135D+01  0.144133D+02  0.787913D+01
               151           152           153           154           155 
      1   0.302073D+01 -0.304093D+00 -0.453115D+01  0.721227D+01 -0.844148D+00
      2   0.977723D+00 -0.692388D+01  0.196640D+01 -0.875005D+00  0.690657D+01
      3  -0.399845D+01  0.722797D+01  0.256475D+01 -0.633727D+01 -0.606243D+01
      4  -0.457441D+01  0.532491D+01 -0.489519D+01  0.200320D+02  0.184801D+02
      5   0.136454D+01 -0.294265D+01 -0.160729D+01  0.175281D+02  0.104410D+02
      6  -0.248056D+01  0.538779D+01  0.250325D+01  0.136814D+02  0.117565D+02
               156           157           158           159           160 
      1   0.127240D+01 -0.174089D+01 -0.637835D+01 -0.437777D+01  0.101908D+01
      2  -0.153494D+01  0.651563D+01  0.133767D+02  0.527357D+01 -0.196592D+01
      3   0.262541D+00 -0.477474D+01 -0.699838D+01 -0.895800D+00  0.946844D+00
      4   0.133469D+02  0.151440D+02  0.155244D+02  0.958343D+01  0.122411D+02
      5   0.152114D+02  0.745289D+01  0.928364D+01  0.728435D+01  0.149151D+02
      6   0.121036D+02  0.956864D+01  0.141936D+02  0.151016D+02  0.117719D+02
               161           162           163           164           165 
      1  -0.521089D+01 -0.676321D+01  0.117869D+02 -0.237588D+01  0.199928D+01
      2   0.451124D+01 -0.449353D+00 -0.121423D+02  0.614436D+01 -0.101703D+02
      3   0.699653D+00  0.721257D+01  0.355362D+00 -0.376848D+01  0.817098D+01
      4   0.108604D+02  0.130750D+02  0.251763D+02  0.146707D+02  0.173139D+02
      5   0.969983D+01  0.164159D+02  0.262715D+02  0.881922D+01  0.225007D+02
      6   0.174811D+02  0.197858D+02  0.173077D+02  0.104530D+02  0.159344D+02
               166           167           168           169           170 
      1  -0.866667D+00 -0.434129D+00 -0.104143D+01  0.321973D+01 -0.254455D+01
      2   0.367749D+01  0.239084D+01  0.131456D+01 -0.960132D+01  0.109132D-01
      3  -0.281082D+01 -0.195671D+01 -0.273136D+00  0.638159D+01  0.253364D+01
      4   0.757770D+01  0.539767D+01  0.334607D+01  0.154051D+02  0.581853D+01
      5   0.252748D+01  0.398708D+01  0.147799D+01  0.194895D+02  0.540045D+01
      6   0.437897D+01  0.266426D+01  0.616947D+01  0.118036D+02  0.118293D+02
               171           172           173           174           175 
      1  -0.440582D+01 -0.669542D+00  0.247144D-01  0.790491D+00 -0.242214D+00
      2  -0.797897D+01  0.354709D+01  0.544572D+01 -0.358248D+01  0.533942D+01
      3   0.123848D+02 -0.287755D+01 -0.547043D+01  0.279199D+01 -0.509721D+01
      4   0.119442D+02  0.516259D+01  0.101465D+02 -0.163181D+01  0.963167D+01
      5   0.180467D+02  0.604346D+00  0.494935D+00  0.478145D+01  0.500712D+00
      6   0.169713D+02  0.580562D+00 -0.205250D+01  0.200339D+01 -0.205719D+01
               176           177           178           179           180 
      1  -0.166864D+02  0.557970D+01  0.306087D+00  0.111520D+02 -0.472301D+01
      2   0.425952D+02 -0.176253D+02 -0.453139D+01 -0.290227D+02  0.127725D+02
      3  -0.259088D+02  0.120456D+02  0.422530D+01  0.178706D+02 -0.804950D+01
      4   0.112448D+02 -0.534547D+01 -0.558801D+01 -0.947242D+01  0.457679D+01
      5  -0.312356D+01  0.222656D+01  0.311718D+01  0.275986D+01 -0.358987D+01
      6  -0.837844D+01  0.120922D+02  0.143456D+01  0.104985D+02 -0.156372D+02
               181           182           183           184           185 
      1  -0.379673D+01  0.114472D+02  0.111704D+02  0.609382D+01 -0.980245D+01
      2   0.349734D+00 -0.125770D+02 -0.238057D+01 -0.650872D+01  0.121594D+02
      3   0.344699D+01  0.112982D+01 -0.878980D+01  0.414900D+00 -0.235695D+01
      4  -0.177144D+02  0.108115D+02  0.123173D+02  0.843516D+01 -0.835908D+01
      5  -0.121454D+02  0.657902D+01  0.109186D+02  0.401786D+01 -0.580065D+01
      6   0.144272D+02 -0.156720D+02 -0.164244D+02 -0.893286D+01  0.107283D+02
               186           187           188           189           190 
      1  -0.715871D+01  0.777902D+01 -0.100451D+02 -0.141236D+02  0.697890D+01
      2   0.380028D+01 -0.205019D+01  0.504618D+01  0.998042D+00 -0.630468D+01
      3   0.335844D+01 -0.572883D+01  0.499893D+01  0.131255D+02 -0.674215D+00
      4  -0.659263D+01  0.118159D+02 -0.703435D+01 -0.764179D+01  0.427282D+01
      5  -0.344031D+01  0.107111D+02 -0.362070D+01 -0.732124D+01 -0.610638D+01
      6   0.125686D+02 -0.103051D+02  0.170705D+02  0.206830D+02 -0.119968D+01
               191           192           193           194           195 
      1   0.519792D+01 -0.438900D+01  0.114234D+02 -0.259006D+00 -0.159557D+01
      2  -0.347897D+01  0.525503D+01 -0.746225D+01  0.119986D+01  0.381244D+01
      3  -0.171895D+01 -0.866035D+00 -0.396113D+01 -0.940850D+00 -0.221686D+01
      4   0.352311D+01 -0.252654D+01  0.409121D+01  0.429248D+01 -0.750782D+01
      5  -0.358764D+01  0.129938D+02 -0.501733D+01 -0.738023D+01  0.122197D+02
      6  -0.694730D+00 -0.126678D+00 -0.214830D+00 -0.225392D+01  0.240336D+01
               196           197           198           199           200 
      1  -0.120026D+02  0.650279D-02  0.540871D+01  0.686513D+01 -0.559140D+01
      2   0.909023D+01  0.314612D+01 -0.154903D+02  0.119709D+00 -0.425116D+00
      3   0.291237D+01 -0.315262D+01  0.100816D+02 -0.698484D+01  0.601651D+01
      4  -0.111908D+01 -0.100752D+02  0.840408D+01 -0.858516D+01  0.141436D+02
      5   0.181388D+02  0.971338D+01 -0.321143D+02  0.728580D+00  0.319369D+01
      6  -0.139957D+01  0.394191D+01  0.104776D+01  0.154720D+01 -0.149722D+01
               201           202           203           204           205 
      1   0.137395D+01 -0.121073D+02 -0.409561D+01  0.265124D+00  0.180382D+01
      2  -0.105733D+01 -0.162909D+01  0.262565D+02  0.215690D+01 -0.139021D+01
      3  -0.316617D+00  0.137363D+02 -0.221609D+02 -0.242203D+01 -0.413610D+00
      4   0.278237D+01  0.246065D+02 -0.477269D+02 -0.746483D+01  0.346979D+01
      5   0.405016D+01  0.474381D+01 -0.664863D+01 -0.720571D+01  0.657316D+01
      6  -0.105711D+01 -0.276904D+01  0.884767D+01  0.805436D+01 -0.233912D+01
               206           207           208           209           210 
      1  -0.330595D+00  0.869110D+00  0.597026D+02  0.828289D+01  0.204711D+02
      2   0.237163D+01  0.503885D+00 -0.326071D+02 -0.507518D+01 -0.122693D+02
      3  -0.204104D+01 -0.137300D+01 -0.270955D+02 -0.320771D+01 -0.820185D+01
      4  -0.662161D+01 -0.457981D+01  0.390896D+01  0.100475D+02  0.152975D+01
      5  -0.482227D+01 -0.448692D+01  0.238080D+02  0.310806D+01  0.178862D+02
      6   0.709232D+01  0.290546D+01 -0.225075D+01  0.704174D+00 -0.155443D+01
               211           212           213           214           215 
      1   0.177328D+02  0.701425D+01  0.456198D+01  0.355920D+02  0.314645D+01
      2  -0.103397D+02 -0.163652D+01 -0.251210D+01 -0.205946D+02 -0.188865D+01
      3  -0.739306D+01 -0.537773D+01 -0.204988D+01 -0.149973D+02 -0.125780D+01
      4   0.119893D+02  0.247664D+01  0.369851D+01  0.114161D+01  0.685262D+01
      5   0.682925D+01  0.368251D+01  0.761940D+01  0.240640D+02  0.463149D+01
      6   0.107370D+01  0.188325D+01  0.186810D+01 -0.152594D+01  0.207967D+01
               216           217           218           219           220 
      1   0.150056D+02 -0.650444D+01 -0.493020D+01  0.141036D+02 -0.108454D+01
      2  -0.131332D+02 -0.569885D+01  0.160951D+01  0.440696D+01 -0.568159D+00
      3  -0.187245D+01  0.122033D+02  0.332069D+01 -0.185105D+02  0.165270D+01
      4   0.342475D+01  0.123620D+02  0.295415D+01 -0.630868D+01  0.293270D+01
      5   0.191541D+02 -0.207609D+02 -0.154519D-01  0.125185D+02  0.601852D+00
      6  -0.138670D+01 -0.454313D+01 -0.854850D+01  0.104404D+02 -0.414429D+01
               221           222           223           224           225 
      1  -0.273653D+01  0.667581D+00  0.888627D+01  0.151715D+01 -0.104527D+02
      2   0.413939D+01 -0.264887D+01  0.261436D+01 -0.106058D+01 -0.897461D+01
      3  -0.140285D+01  0.198129D+01 -0.115006D+02 -0.456572D+00  0.194273D+02
      4  -0.308163D+00 -0.122622D+01 -0.571279D+01 -0.191202D+01  0.472765D+01
      5  -0.278508D+01  0.296304D+01  0.132545D+02  0.194099D+01 -0.739602D+01
      6  -0.262941D+01  0.268849D+01  0.514181D+01  0.400846D+01 -0.620857D+01
               226           227           228           229           230 
      1   0.100753D+02  0.247769D+01  0.166040D+01  0.384325D+01 -0.478775D+00
      2  -0.206620D+02 -0.464523D+01 -0.210943D+02 -0.805867D+01 -0.362738D+00
      3   0.105867D+02  0.216754D+01  0.194339D+02  0.421542D+01  0.841513D+00
      4  -0.445184D+01  0.498549D+01 -0.525019D+01  0.280254D+01  0.286591D+00
      5   0.279791D+02  0.176807D+01  0.300530D+02  0.896082D+01  0.583390D+01
      6  -0.225958D+01  0.686843D+01 -0.393650D+01  0.450030D+01  0.215686D+01
               231           232           233           234           235 
      1  -0.197319D+01  0.248694D+01 -0.544391D-01 -0.761156D+01 -0.214748D+00
      2  -0.968076D+01 -0.175819D+02 -0.363163D+01 -0.286004D+02  0.231211D+01
      3   0.116539D+02  0.150949D+02  0.368607D+01  0.362119D+02 -0.209736D+01
      4   0.226073D+01 -0.457907D+01  0.257301D+01 -0.300958D+01 -0.563378D+01
      5   0.101056D+02  0.254195D+02  0.278453D+01  0.313996D+02  0.280053D+01
      6   0.431860D+01 -0.224854D+01  0.593071D+01 -0.460396D+01 -0.375128D+01
               236           237           238           239           240 
      1  -0.718997D+00 -0.459450D-01 -0.536392D+00 -0.218863D+02  0.566544D+01
      2  -0.565909D+01 -0.191182D+01 -0.654678D+01  0.484226D+02 -0.115000D+01
      3   0.637809D+01  0.195777D+01  0.708318D+01 -0.265363D+02 -0.451544D+01
      4   0.110932D+02 -0.171716D+01  0.127342D+02 -0.246661D+02  0.317629D+01
      5  -0.380268D+01  0.568903D+01 -0.530968D+01  0.671476D+01 -0.366335D+01
      6   0.549505D+01 -0.145606D+01  0.636051D+01 -0.315806D+02  0.119531D+02
               241           242           243 
      1  -0.643351D+00  0.460001D+00 -0.124928D+01
      2  -0.213427D+01  0.464310D+01  0.218816D+01
      3   0.277762D+01 -0.510310D+01 -0.938881D+00
      4   0.127639D+01 -0.235796D+01 -0.153395D+01
      5   0.318955D+01 -0.467268D+00  0.997664D+00
      6  -0.318847D+00  0.443109D+01  0.315940D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 20:06:52 2022, MaxMem=  6442450944 cpu:           14992.1 elap:            1875.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13927 -10.27438 -10.20310 -10.19911 -10.19406
 Alpha  occ. eigenvalues --  -10.19107 -10.18975 -10.18560 -10.17838 -10.17778
 Alpha  occ. eigenvalues --  -10.17632  -1.04307  -0.88731  -0.76794  -0.76276
 Alpha  occ. eigenvalues --   -0.73658  -0.68043  -0.66601  -0.63929  -0.58409
 Alpha  occ. eigenvalues --   -0.54174  -0.50360  -0.49132  -0.48757  -0.47406
 Alpha  occ. eigenvalues --   -0.45056  -0.42992  -0.42013  -0.41153  -0.40549
 Alpha  occ. eigenvalues --   -0.40083  -0.39182  -0.38695  -0.37853  -0.36873
 Alpha  occ. eigenvalues --   -0.35130  -0.34882  -0.33954  -0.32770  -0.31919
 Alpha  occ. eigenvalues --   -0.30335  -0.24802
 Alpha virt. eigenvalues --   -0.02673   0.01298   0.03269   0.03674   0.03720
 Alpha virt. eigenvalues --    0.06067   0.06624   0.06729   0.06919   0.07526
 Alpha virt. eigenvalues --    0.09562   0.09895   0.10209   0.10636   0.10798
 Alpha virt. eigenvalues --    0.10880   0.12296   0.12874   0.13373   0.14355
 Alpha virt. eigenvalues --    0.14825   0.15618   0.16050   0.16555   0.16618
 Alpha virt. eigenvalues --    0.17651   0.17923   0.18762   0.19914   0.20051
 Alpha virt. eigenvalues --    0.20512   0.21324   0.22088   0.22825   0.24069
 Alpha virt. eigenvalues --    0.24175   0.25305   0.25640   0.27063   0.27254
 Alpha virt. eigenvalues --    0.28153   0.28210   0.29036   0.29426   0.30213
 Alpha virt. eigenvalues --    0.30827   0.30920   0.31343   0.31934   0.32257
 Alpha virt. eigenvalues --    0.32466   0.32876   0.33110   0.33998   0.34447
 Alpha virt. eigenvalues --    0.34625   0.35456   0.35704   0.36299   0.36607
 Alpha virt. eigenvalues --    0.37220   0.37362   0.37516   0.37835   0.38681
 Alpha virt. eigenvalues --    0.38917   0.39303   0.39430   0.39707   0.40069
 Alpha virt. eigenvalues --    0.40644   0.40964   0.41549   0.42371   0.42664
 Alpha virt. eigenvalues --    0.43808   0.43892   0.44072   0.44997   0.45378
 Alpha virt. eigenvalues --    0.45903   0.46318   0.47799   0.48148   0.49009
 Alpha virt. eigenvalues --    0.49451   0.49768   0.50322   0.50765   0.51594
 Alpha virt. eigenvalues --    0.51659   0.52262   0.52493   0.52903   0.53500
 Alpha virt. eigenvalues --    0.54257   0.54603   0.54826   0.55326   0.55811
 Alpha virt. eigenvalues --    0.56155   0.56603   0.57138   0.57551   0.58964
 Alpha virt. eigenvalues --    0.59078   0.59442   0.59659   0.60794   0.61166
 Alpha virt. eigenvalues --    0.61430   0.62583   0.63068   0.63273   0.64100
 Alpha virt. eigenvalues --    0.64625   0.65114   0.65985   0.67276   0.67945
 Alpha virt. eigenvalues --    0.68334   0.68571   0.69135   0.69988   0.70667
 Alpha virt. eigenvalues --    0.70958   0.72987   0.73769   0.74883   0.75320
 Alpha virt. eigenvalues --    0.76024   0.77503   0.78288   0.79149   0.79934
 Alpha virt. eigenvalues --    0.80182   0.81340   0.83237   0.83746   0.84458
 Alpha virt. eigenvalues --    0.85416   0.85974   0.87195   0.88381   0.89232
 Alpha virt. eigenvalues --    0.90286   0.92583   0.93368   0.96097   0.96551
 Alpha virt. eigenvalues --    0.97283   0.98558   0.99356   0.99767   1.00557
 Alpha virt. eigenvalues --    1.01213   1.01760   1.02239   1.02892   1.03041
 Alpha virt. eigenvalues --    1.04153   1.04786   1.06341   1.07270   1.07740
 Alpha virt. eigenvalues --    1.09278   1.09742   1.10981   1.11669   1.14578
 Alpha virt. eigenvalues --    1.15869   1.16353   1.19073   1.21303   1.21895
 Alpha virt. eigenvalues --    1.25583   1.27761   1.28585   1.29446   1.30189
 Alpha virt. eigenvalues --    1.31804   1.32954   1.35160   1.35980   1.36415
 Alpha virt. eigenvalues --    1.38021   1.39211   1.41129   1.43418   1.46532
 Alpha virt. eigenvalues --    1.47311   1.47791   1.50451   1.51283   1.52004
 Alpha virt. eigenvalues --    1.54433   1.56299   1.58424   1.58991   1.60515
 Alpha virt. eigenvalues --    1.63352   1.65528   1.67206   1.68422   1.69691
 Alpha virt. eigenvalues --    1.71913   1.72319   1.74848   1.76424   1.77130
 Alpha virt. eigenvalues --    1.78531   1.80082   1.80913   1.81897   1.82892
 Alpha virt. eigenvalues --    1.84672   1.85613   1.87949   1.88945   1.89312
 Alpha virt. eigenvalues --    1.90386   1.91238   1.92891   1.93586   1.94406
 Alpha virt. eigenvalues --    1.95736   1.96332   1.97416   1.99778   2.01506
 Alpha virt. eigenvalues --    2.01900   2.02936   2.04235   2.05424   2.06506
 Alpha virt. eigenvalues --    2.07529   2.08559   2.10018   2.11202   2.12404
 Alpha virt. eigenvalues --    2.12795   2.16702   2.16987   2.17613   2.19935
 Alpha virt. eigenvalues --    2.20388   2.21591   2.22218   2.25177   2.26676
 Alpha virt. eigenvalues --    2.27704   2.28699   2.30440   2.32282   2.34123
 Alpha virt. eigenvalues --    2.34303   2.37233   2.38923   2.40251   2.40890
 Alpha virt. eigenvalues --    2.41871   2.43709   2.44802   2.48103   2.48528
 Alpha virt. eigenvalues --    2.51571   2.52156   2.53223   2.57547   2.57913
 Alpha virt. eigenvalues --    2.61744   2.62606   2.63881   2.64162   2.65902
 Alpha virt. eigenvalues --    2.67726   2.69599   2.70060   2.71720   2.74495
 Alpha virt. eigenvalues --    2.75848   2.79458   2.80821   2.81794   2.83925
 Alpha virt. eigenvalues --    2.86981   2.94068   2.95287   2.95720   3.00103
 Alpha virt. eigenvalues --    3.02284   3.03482   3.06704   3.09235   3.10758
 Alpha virt. eigenvalues --    3.11727   3.13315   3.15708   3.17275   3.18420
 Alpha virt. eigenvalues --    3.21387   3.21894   3.24639   3.25970   3.26256
 Alpha virt. eigenvalues --    3.29138   3.33396   3.48377   3.90446
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   18.870175  -1.148796  -0.338757  -0.062579  -1.478565  -0.577884
     2  C   -1.148796  14.031274  -0.315984   0.256112  -0.217210  -1.092404
     3  C   -0.338757  -0.315984   5.685721  -0.015404   0.107247   0.046773
     4  C   -0.062579   0.256112  -0.015404   5.035815   0.063156  -0.180415
     5  C   -1.478565  -0.217210   0.107247   0.063156   6.557078   0.155031
     6  C   -0.577884  -1.092404   0.046773  -0.180415   0.155031   7.189053
     7  C   -0.102321  -0.104933  -0.105173   0.116405   0.038532  -0.057210
     8  C   -0.197825  -2.329738   0.004043  -0.030283   0.077824   0.129673
     9  O    0.036893  -0.095631   0.006299   0.015108  -0.008808  -0.318547
    10  C   -2.216064  -0.064226  -0.036449  -0.076098   0.005188   0.145678
    11  C   -1.937841   0.118628   0.028662   0.050617   0.099852  -0.176008
    12  H   -0.064399   0.025318  -0.067065  -0.134829  -0.046913  -0.062811
    13  H   -0.003239  -0.004874  -0.151557  -0.088431   0.072140   0.055361
    14  H    0.064929  -0.045022   0.092196  -0.108905  -0.024613  -0.021563
    15  H   -0.089712  -0.049779  -0.139760   0.294932  -0.018547   0.043531
    16  H    0.055239  -0.050867  -0.024211   0.031292  -0.059408  -0.079376
    17  H    0.016686  -0.085113   0.017489  -0.059272   0.026950   0.153502
    18  H   -0.650993  -0.104718   0.012219  -0.200611  -0.001721  -0.018461
    19  H    0.033089   0.386975  -0.019653   0.000780  -0.009478   0.023769
    20  H   -0.142375   0.294731  -0.007228   0.000161   0.006124   0.024188
    21  H   -0.042330   0.235490  -0.009834   0.000640   0.001776  -0.027770
    22  H    0.000533  -0.049749  -0.033436  -0.027640  -0.042075   0.025256
    23  H    0.385673  -0.111888  -0.008482   0.002946   0.001715  -0.003240
    24  H    0.199768   0.009204   0.014858  -0.023203   0.055670  -0.015378
    25  H    0.193803  -0.133185   0.001093   0.003041  -0.049395  -0.011155
    26  H    0.087238  -0.007892   0.000127  -0.005152   0.069573   0.003376
    27  H    0.378533  -0.079990  -0.000219  -0.000282  -0.009189   0.070438
               7          8          9         10         11         12
     1  C   -0.102321  -0.197825   0.036893  -2.216064  -1.937841  -0.064399
     2  C   -0.104933  -2.329738  -0.095631  -0.064226   0.118628   0.025318
     3  C   -0.105173   0.004043   0.006299  -0.036449   0.028662  -0.067065
     4  C    0.116405  -0.030283   0.015108  -0.076098   0.050617  -0.134829
     5  C    0.038532   0.077824  -0.008808   0.005188   0.099852  -0.046913
     6  C   -0.057210   0.129673  -0.318547   0.145678  -0.176008  -0.062811
     7  C    5.134449  -0.006232  -0.007195   0.037152  -0.012318   0.001388
     8  C   -0.006232   6.091512   0.027472   0.041967  -0.000130  -0.026915
     9  O   -0.007195   0.027472   8.722485  -0.009423   0.027048   0.011793
    10  C    0.037152   0.041967  -0.009423   6.489269  -0.370053   0.020061
    11  C   -0.012318  -0.000130   0.027048  -0.370053   6.096219  -0.009005
    12  H    0.001388  -0.026915   0.011793   0.020061  -0.009005   2.358240
    13  H   -0.033319   0.113173   0.010291   0.013523  -0.000067  -0.835285
    14  H   -0.067813   0.004166   0.005545   0.004653   0.002158   0.266704
    15  H    0.032476  -0.008284  -0.006375  -0.057453  -0.007256  -0.551938
    16  H    0.364278  -0.011709  -0.027735  -0.009728  -0.018202   0.003677
    17  H   -0.106605   0.006916   0.051084   0.000785  -0.001502  -0.000290
    18  H   -0.144987   0.004892   0.012977   0.123473   0.123043   0.014593
    19  H    0.002554  -0.073102  -0.017215  -0.000159   0.003027  -0.048553
    20  H    0.000434   0.045369  -0.001159   0.030401  -0.014930   0.002245
    21  H    0.001994   0.000740   0.021167  -0.008257   0.015356   0.051612
    22  H    0.003804   0.016373  -0.002508   0.182726   0.032780   0.041365
    23  H    0.000289   0.053578   0.002341  -0.245455   0.029283  -0.008475
    24  H   -0.004727  -0.000528   0.001423  -0.225868   0.057777   0.003132
    25  H   -0.003334   0.021744   0.048960   0.027358   0.179088  -0.000145
    26  H   -0.030445   0.003759   0.000703   0.039086  -0.122696   0.000830
    27  H   -0.008174   0.018729  -0.014188   0.056065  -0.299423  -0.000423
              13         14         15         16         17         18
     1  C   -0.003239   0.064929  -0.089712   0.055239   0.016686  -0.650993
     2  C   -0.004874  -0.045022  -0.049779  -0.050867  -0.085113  -0.104718
     3  C   -0.151557   0.092196  -0.139760  -0.024211   0.017489   0.012219
     4  C   -0.088431  -0.108905   0.294932   0.031292  -0.059272  -0.200611
     5  C    0.072140  -0.024613  -0.018547  -0.059408   0.026950  -0.001721
     6  C    0.055361  -0.021563   0.043531  -0.079376   0.153502  -0.018461
     7  C   -0.033319  -0.067813   0.032476   0.364278  -0.106605  -0.144987
     8  C    0.113173   0.004166  -0.008284  -0.011709   0.006916   0.004892
     9  O    0.010291   0.005545  -0.006375  -0.027735   0.051084   0.012977
    10  C    0.013523   0.004653  -0.057453  -0.009728   0.000785   0.123473
    11  C   -0.000067   0.002158  -0.007256  -0.018202  -0.001502   0.123043
    12  H   -0.835285   0.266704  -0.551938   0.003677  -0.000290   0.014593
    13  H    2.328264  -0.327969   0.217952   0.000645  -0.003759  -0.001119
    14  H   -0.327969   2.406564  -1.042166  -0.000054   0.035622   0.158315
    15  H    0.217952  -1.042166   2.825040  -0.009405   0.000719  -0.275928
    16  H    0.000645  -0.000054  -0.009405   1.525355  -0.454867  -0.147164
    17  H   -0.003759   0.035622   0.000719  -0.454867   1.625415   0.085148
    18  H   -0.001119   0.158315  -0.275928  -0.147164   0.085148   2.783294
    19  H    0.034129  -0.000496   0.000959   0.000258   0.000303   0.000046
    20  H    0.000244  -0.000052  -0.000153  -0.001208   0.000530   0.002140
    21  H   -0.019150   0.001028  -0.002512  -0.000246   0.000035   0.001475
    22  H    0.008858   0.000590   0.019843   0.000176   0.001565   0.013715
    23  H    0.001954   0.001203  -0.002312  -0.000292   0.000011   0.004069
    24  H   -0.000232   0.003359   0.003193  -0.001793  -0.000660   0.053184
    25  H    0.000567   0.001836  -0.000110  -0.028476   0.007011   0.010221
    26  H    0.000156  -0.001319  -0.000537  -0.002494   0.004015   0.055352
    27  H    0.000325  -0.000215   0.000548  -0.004200   0.001614   0.000471
              19         20         21         22         23         24
     1  C    0.033089  -0.142375  -0.042330   0.000533   0.385673   0.199768
     2  C    0.386975   0.294731   0.235490  -0.049749  -0.111888   0.009204
     3  C   -0.019653  -0.007228  -0.009834  -0.033436  -0.008482   0.014858
     4  C    0.000780   0.000161   0.000640  -0.027640   0.002946  -0.023203
     5  C   -0.009478   0.006124   0.001776  -0.042075   0.001715   0.055670
     6  C    0.023769   0.024188  -0.027770   0.025256  -0.003240  -0.015378
     7  C    0.002554   0.000434   0.001994   0.003804   0.000289  -0.004727
     8  C   -0.073102   0.045369   0.000740   0.016373   0.053578  -0.000528
     9  O   -0.017215  -0.001159   0.021167  -0.002508   0.002341   0.001423
    10  C   -0.000159   0.030401  -0.008257   0.182726  -0.245455  -0.225868
    11  C    0.003027  -0.014930   0.015356   0.032780   0.029283   0.057777
    12  H   -0.048553   0.002245   0.051612   0.041365  -0.008475   0.003132
    13  H    0.034129   0.000244  -0.019150   0.008858   0.001954  -0.000232
    14  H   -0.000496  -0.000052   0.001028   0.000590   0.001203   0.003359
    15  H    0.000959  -0.000153  -0.002512   0.019843  -0.002312   0.003193
    16  H    0.000258  -0.001208  -0.000246   0.000176  -0.000292  -0.001793
    17  H    0.000303   0.000530   0.000035   0.001565   0.000011  -0.000660
    18  H    0.000046   0.002140   0.001475   0.013715   0.004069   0.053184
    19  H    0.736914  -0.036592  -0.059611   0.000086  -0.000667  -0.000480
    20  H   -0.036592   0.796541  -0.060365   0.002678  -0.004695  -0.001388
    21  H   -0.059611  -0.060365   0.786097  -0.010264   0.020230   0.002193
    22  H    0.000086   0.002678  -0.010264   1.191723  -0.125258  -0.119779
    23  H   -0.000667  -0.004695   0.020230  -0.125258   0.968723  -0.066415
    24  H   -0.000480  -0.001388   0.002193  -0.119779  -0.066415   0.972085
    25  H   -0.002645   0.000493   0.002361  -0.005381   0.006814   0.004670
    26  H   -0.000255   0.003898  -0.001454   0.009875  -0.026567   0.016864
    27  H    0.001807   0.025694  -0.004186   0.004659   0.032617  -0.028534
              25         26         27
     1  C    0.193803   0.087238   0.378533
     2  C   -0.133185  -0.007892  -0.079990
     3  C    0.001093   0.000127  -0.000219
     4  C    0.003041  -0.005152  -0.000282
     5  C   -0.049395   0.069573  -0.009189
     6  C   -0.011155   0.003376   0.070438
     7  C   -0.003334  -0.030445  -0.008174
     8  C    0.021744   0.003759   0.018729
     9  O    0.048960   0.000703  -0.014188
    10  C    0.027358   0.039086   0.056065
    11  C    0.179088  -0.122696  -0.299423
    12  H   -0.000145   0.000830  -0.000423
    13  H    0.000567   0.000156   0.000325
    14  H    0.001836  -0.001319  -0.000215
    15  H   -0.000110  -0.000537   0.000548
    16  H   -0.028476  -0.002494  -0.004200
    17  H    0.007011   0.004015   0.001614
    18  H    0.010221   0.055352   0.000471
    19  H   -0.002645  -0.000255   0.001807
    20  H    0.000493   0.003898   0.025694
    21  H    0.002361  -0.001454  -0.004186
    22  H   -0.005381   0.009875   0.004659
    23  H    0.006814  -0.026567   0.032617
    24  H    0.004670   0.016864  -0.028534
    25  H    1.046429  -0.174993  -0.059281
    26  H   -0.174993   1.044618  -0.066837
    27  H   -0.059281  -0.066837   0.886609
 Mulliken charges:
               1
     1  C   -5.268884
     2  C   -3.265732
     3  C    1.256486
     4  C    1.142099
     5  C    0.628068
     6  C    0.576592
     7  C    1.061031
     8  C    2.022817
     9  O   -0.492805
    10  C    2.101846
    11  C    2.105894
    12  H    0.056088
    13  H   -0.388584
    14  H   -0.408682
    15  H   -0.176963
    16  H   -0.049484
    17  H   -0.323330
    18  H   -0.912928
    19  H    0.044210
    20  H    0.034275
    21  H    0.103784
    22  H   -0.140515
    23  H    0.092299
    24  H    0.091605
    25  H   -0.087391
    26  H    0.101168
    27  H    0.097033
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -5.268884
     2  C   -3.265732
     3  C    0.923990
     4  C    0.556454
     5  C   -0.284860
     6  C    0.576592
     7  C    0.688217
     8  C    2.205086
     9  O   -0.492805
    10  C    2.145235
    11  C    2.216704
 Electronic spatial extent (au):  <R**2>=           1477.3815
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.6713    Y=              1.1316    Z=             -0.1801  Tot=              3.8460
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.5861   YY=            -67.7624   ZZ=            -67.1760
   XY=             -2.6823   XZ=              1.2435   YZ=              0.4527
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.7446   YY=              4.0791   ZZ=              4.6655
   XY=             -2.6823   XZ=              1.2435   YZ=              0.4527
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             30.4396  YYY=              1.1992  ZZZ=              2.2761  XYY=             -3.3265
  XXY=              7.5625  XXZ=             -4.2446  XZZ=             -2.2871  YZZ=              1.1907
  YYZ=              1.0069  XYZ=              0.2544
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -916.8806 YYYY=           -655.2273 ZZZZ=           -560.2562 XXXY=             -8.3260
 XXXZ=             16.9491 YYYX=             -7.0749 YYYZ=             -1.0388 ZZZX=             -5.1032
 ZZZY=              4.6671 XXYY=           -242.7828 XXZZ=           -221.9293 YYZZ=           -207.0527
 XXYZ=              1.5794 YYXZ=             -1.4030 ZZXY=              2.0433
 N-N= 6.881402270722D+02 E-N=-2.454398572300D+03  KE= 4.602438271758D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 20:06:53 2022, MaxMem=  6442450944 cpu:               4.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.38600940D+00 4.31426383D-01-6.46109490D-02
 Polarizability= 1.34675090D+02 1.38154848D+00 1.29856639D+02
                -3.25054063D-01 1.68207865D+00 1.26079469D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3388    0.3381        0.8689    0.8665
 2     -0.3388   -0.3381       -0.9460   -0.9449       -3.3391   -3.3423
 3     -0.8689   -0.8665        5.2080    5.2109        0.9462    0.9449
 4      0.9460    0.9449        0.0000    0.0000       -0.8702   -0.8665
 5     -1.8689   -1.8687        0.8702    0.8665        0.3406    0.3381
 6     -0.9462   -0.9449       -0.3406   -0.3381       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0142   -1.0142        2.5996    2.5996
 2      2.8348    2.8348        0.0000    0.0000        2.5996    2.5996
 3      2.8348    2.8348       -1.0142   -1.0142       -0.0000    0.0000
 4     -1.0142   -1.0142       -2.8348   -2.8348      -10.0268  -10.0268
 5     -2.5996   -2.5996       15.6328   15.6328        2.8348    2.8348
 6     -5.6060   -5.6060        2.5996    2.5996        1.0142    1.0142
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0285    0.0000       -1.3529   -1.3523       -3.6441   -3.4662
 2      1.3322    1.3523        3.3921    3.7798       13.1640   13.3690
 3      3.9623    3.4662      -21.5322  -20.8438       -3.5465   -3.7798
 4     -3.9711   -3.7798       -0.0179    0.0000        3.3307    3.4662
 5      7.4493    7.4747       -3.6156   -3.4662       -1.4108   -1.3523
 6      3.6002    3.7798        1.1376    1.3523       -0.1284    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0905    0.0000        8.1319    8.1597        2.6270    2.6429
 2     -8.1406   -8.1597        4.2452    4.2715        9.3694    9.5346
 3     -2.7436   -2.6429       12.1972   11.9027       -4.1785   -4.2715
 4     -4.3912   -4.2715        0.0917    0.0000       -2.6951   -2.6429
 5    -21.2375  -21.4373        2.7013    2.6429        7.8172    8.1597
 6      4.3026    4.2715       -8.2144   -8.1597        0.0380    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.3917   -8.6507       14.9788   15.2408       23.3834   22.9290
 2    -10.7571  -11.0601       25.2472   25.1990       23.3889   22.9290
 3    -10.8429  -11.0601       15.0232   15.2408       21.0870   20.5152
 4    -10.5470   -9.9581        3.0667    2.4093       15.8607   16.0853
 5     -2.0111   -2.4138       16.3183   16.5746       -2.5925   -2.4093
 6    -32.3271  -32.6599        2.5935    2.4138        9.4934    9.9581
 Full mass-weighted force constant matrix:
 Low frequencies ---  -19.0180   -8.2592   -6.3886   -0.0005   -0.0005    0.0003
 Low frequencies ---  101.7772  168.2446  182.8223
 Diagonal vibrational polarizability:
        6.5103583       9.6508863      11.7687349
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    101.7399               168.2361               182.8206
 Red. masses --      4.6583                 1.1724                 1.1076
 Frc consts  --      0.0284                 0.0196                 0.0218
 IR Inten    --      5.5880                 0.1269                 0.1129
 RamAct Fr= 1--      1.0691                 0.1814                 0.0828
  Dep-P Fr= 1--      0.7485                 0.7088                 0.7479
  Dep-U Fr= 1--      0.8562                 0.8296                 0.8557
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1525                 0.0251                 0.0118
 AlphaG Fr= 1--      0.0006                -0.0010                -0.0005
 Gamma2 Fr= 1--      0.2416                -0.0495                 0.1364
 Delta2 Fr= 1--     -0.0766                 0.0292                 0.0016
 Raman1 Fr= 1--       4.276                  0.726                  0.331
 ROA1   Fr= 1--      20.745                 -3.812                 13.151
 CID1   Fr= 1--       4.851                 -5.254                 39.692
 Raman2 Fr= 1--       1.831                  0.301                  0.142
 ROA2   Fr= 1--       6.412                 -1.421                  3.262
 CID2   Fr= 1--       3.503                 -4.721                 23.006
 Raman3 Fr= 1--       3.661                  0.602                  0.284
 ROA3   Fr= 1--      20.745                 -3.812                 13.151
 CID3   Fr= 1--       5.666                 -6.333                 46.384
 RC180  Fr= 1--       0.712                  0.659                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.00     0.00  -0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.01   0.05  -0.07    -0.01  -0.01   0.02     0.00  -0.00   0.00
     3   6     0.03   0.08  -0.03    -0.03   0.02   0.03    -0.03   0.02   0.01
     4   6     0.13   0.02  -0.02     0.04  -0.02   0.02     0.02   0.00   0.01
     5   6     0.01   0.03  -0.03    -0.01  -0.01   0.02     0.00  -0.00   0.00
     6   6     0.01  -0.03   0.01    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6    -0.03   0.09  -0.12    -0.02   0.00  -0.02    -0.00  -0.00  -0.01
     8   6     0.00   0.08  -0.13     0.02  -0.00  -0.01     0.03   0.00  -0.02
     9   8     0.09  -0.25   0.29    -0.02   0.02  -0.04    -0.01  -0.00  -0.02
    10   6    -0.04  -0.07   0.06    -0.01   0.01  -0.03    -0.01  -0.04  -0.00
    11   6    -0.15   0.04   0.01     0.05   0.00   0.02     0.00   0.04   0.03
    12   1    -0.02   0.06  -0.07    -0.10   0.02  -0.03    -0.07   0.03  -0.02
    13   1     0.03   0.16   0.01    -0.06   0.05   0.10    -0.04   0.05   0.06
    14   1     0.24   0.08  -0.06     0.10   0.02   0.00     0.06   0.03   0.01
    15   1     0.17  -0.11   0.02     0.06  -0.10   0.03     0.03  -0.05   0.01
    16   1    -0.12   0.25  -0.10    -0.05   0.03  -0.01    -0.01   0.02  -0.01
    17   1    -0.00   0.06  -0.30    -0.01   0.00  -0.05    -0.00  -0.01  -0.03
    18   1    -0.02  -0.00   0.02    -0.02  -0.01   0.04    -0.00  -0.01   0.01
    19   1     0.06   0.12  -0.22     0.09   0.01  -0.11    -0.28  -0.11   0.42
    20   1    -0.09   0.05  -0.18    -0.08  -0.00  -0.03     0.57  -0.11  -0.03
    21   1     0.05   0.08  -0.07     0.08  -0.02   0.08    -0.21   0.24  -0.47
    22   1    -0.02  -0.20  -0.00    -0.20  -0.32  -0.23    -0.04  -0.10  -0.04
    23   1    -0.04  -0.10   0.20     0.15  -0.03   0.35    -0.03  -0.05   0.05
    24   1    -0.04   0.01   0.04     0.01   0.39  -0.23     0.01  -0.01  -0.05
    25   1    -0.13   0.20   0.03     0.16   0.25   0.21     0.00   0.05   0.03
    26   1    -0.08  -0.07  -0.01     0.29  -0.19  -0.13    -0.00   0.08   0.02
    27   1    -0.32   0.00   0.01    -0.25  -0.05  -0.04     0.01   0.03   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.0462               224.4087               241.2515
 Red. masses --      1.9219                 1.1595                 2.5402
 Frc consts  --      0.0533                 0.0344                 0.0871
 IR Inten    --      0.2917                 0.4185                 1.0444
 RamAct Fr= 1--      0.3105                 0.1462                 0.6869
  Dep-P Fr= 1--      0.7500                 0.7407                 0.5970
  Dep-U Fr= 1--      0.8571                 0.8510                 0.7476
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0020
 Beta2  Fr= 1--      0.0444                 0.0207                 0.0856
 AlphaG Fr= 1--     -0.0000                 0.0009                 0.0020
 Gamma2 Fr= 1--      0.0775                -0.0282                 0.1359
 Delta2 Fr= 1--     -0.0468                 0.0575                 0.0521
 Raman1 Fr= 1--       1.242                  0.585                  2.748
 ROA1   Fr= 1--       5.940                 -0.872                 14.715
 CID1   Fr= 1--       4.783                 -1.490                  5.356
 Raman2 Fr= 1--       0.532                  0.249                  1.027
 ROA2   Fr= 1--       2.234                 -1.138                  2.846
 CID2   Fr= 1--       4.198                 -4.571                  2.771
 Raman3 Fr= 1--       1.064                  0.498                  2.054
 ROA3   Fr= 1--       5.940                 -0.872                 14.715
 CID3   Fr= 1--       5.580                 -1.751                  7.164
 RC180  Fr= 1--       0.714                  0.702                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.01    -0.01   0.01  -0.02
     2   6     0.01   0.00  -0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
     3   6     0.05  -0.05  -0.04    -0.05   0.01  -0.00    -0.10   0.02  -0.00
     4   6    -0.01  -0.02  -0.02     0.01  -0.02  -0.01    -0.03   0.01  -0.03
     5   6    -0.01  -0.00  -0.01     0.02  -0.02  -0.02     0.02   0.02  -0.02
     6   6     0.01   0.03   0.00     0.01  -0.00   0.01     0.00   0.02   0.03
     7   6     0.01   0.02  -0.00     0.03  -0.02   0.02     0.04   0.03   0.01
     8   6    -0.09  -0.01   0.05     0.01  -0.00  -0.04     0.25  -0.05   0.07
     9   8     0.02   0.01   0.04    -0.00   0.03   0.02    -0.02   0.08   0.04
    10   6     0.08   0.14   0.08     0.03   0.02   0.03    -0.02  -0.03   0.00
    11   6    -0.05  -0.12  -0.09    -0.04   0.01   0.00    -0.14  -0.09  -0.09
    12   1     0.12  -0.06   0.03    -0.10   0.02  -0.05    -0.17   0.05  -0.07
    13   1     0.09  -0.07  -0.12    -0.07   0.03   0.06    -0.15   0.04   0.10
    14   1    -0.06  -0.05  -0.03     0.04   0.01  -0.00    -0.00   0.03  -0.00
    15   1    -0.02   0.04  -0.01     0.01  -0.06  -0.03    -0.04  -0.03  -0.08
    16   1     0.00   0.02  -0.00     0.08  -0.06   0.02     0.05   0.04   0.01
    17   1     0.01   0.02  -0.00     0.02  -0.02   0.07     0.03   0.02   0.01
    18   1     0.01   0.00  -0.02     0.04  -0.03  -0.03     0.04   0.03  -0.05
    19   1    -0.26  -0.03   0.30     0.04   0.01  -0.09     0.31  -0.29  -0.00
    20   1     0.13  -0.01   0.09    -0.04  -0.01  -0.05     0.36  -0.04   0.10
    21   1    -0.25  -0.00  -0.17     0.04   0.00   0.01     0.37   0.08   0.15
    22   1     0.04   0.05   0.03    -0.08  -0.22  -0.12     0.02   0.01   0.03
    23   1     0.29   0.15   0.23     0.21  -0.00   0.33    -0.07  -0.03  -0.05
    24   1    -0.03   0.39   0.09    -0.01   0.36  -0.08    -0.01  -0.11   0.04
    25   1    -0.02  -0.02  -0.04    -0.18  -0.31  -0.25    -0.14  -0.00  -0.10
    26   1     0.04  -0.34  -0.08    -0.35   0.29   0.17    -0.10  -0.30  -0.03
    27   1    -0.24  -0.13  -0.25     0.36   0.07   0.11    -0.30  -0.10  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    261.9030               289.8471               300.1674
 Red. masses --      2.2827                 1.9371                 2.9078
 Frc consts  --      0.0923                 0.0959                 0.1544
 IR Inten    --      0.9022                 0.4485                 2.6929
 RamAct Fr= 1--      1.0252                 0.4214                 1.0824
  Dep-P Fr= 1--      0.6358                 0.3890                 0.5879
  Dep-U Fr= 1--      0.7774                 0.5602                 0.7405
 Alpha2 Fr= 1--      0.0021                 0.0032                 0.0033
 Beta2  Fr= 1--      0.1328                 0.0393                 0.1336
 AlphaG Fr= 1--      0.0045                 0.0134                -0.0056
 Gamma2 Fr= 1--     -0.0502                -0.0164                 0.2380
 Delta2 Fr= 1--     -0.0719                -0.0151                 0.1662
 Raman1 Fr= 1--       4.101                  1.685                  4.329
 ROA1   Fr= 1--      -7.124                 -2.061                 28.168
 CID1   Fr= 1--      -1.737                 -1.223                  6.506
 Raman2 Fr= 1--       1.594                  0.472                  1.603
 ROA2   Fr= 1--      -0.630                 -0.274                  4.383
 CID2   Fr= 1--      -0.396                 -0.580                  2.734
 Raman3 Fr= 1--       3.188                  0.944                  3.206
 ROA3   Fr= 1--      -7.124                 -2.061                 28.168
 CID3   Fr= 1--      -2.235                 -2.183                  8.787
 RC180  Fr= 1--       0.555                  0.120                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.02  -0.02    -0.06  -0.02   0.02
     2   6    -0.01   0.03  -0.00     0.02   0.04  -0.04    -0.06  -0.02  -0.00
     3   6     0.04   0.06   0.02     0.11   0.00  -0.05     0.18  -0.09  -0.02
     4   6     0.13   0.01   0.06    -0.10   0.08   0.02     0.03  -0.04   0.02
     5   6    -0.02   0.00   0.05     0.00   0.02   0.01    -0.04  -0.02   0.02
     6   6    -0.03   0.02  -0.04     0.03   0.02  -0.02    -0.08   0.04  -0.00
     7   6    -0.06   0.04  -0.06     0.02  -0.04   0.08    -0.04   0.02  -0.02
     8   6    -0.01  -0.03   0.19     0.01   0.01   0.07     0.11  -0.01  -0.10
     9   8     0.00  -0.07  -0.03     0.05  -0.04  -0.01    -0.11   0.10   0.15
    10   6    -0.06   0.03  -0.12    -0.06  -0.11  -0.06    -0.08   0.06  -0.08
    11   6     0.02  -0.06  -0.06    -0.08   0.04  -0.01     0.08  -0.03   0.02
    12   1    -0.02   0.06  -0.03     0.29   0.02   0.09     0.36  -0.19   0.19
    13   1     0.04   0.16   0.06     0.19  -0.09  -0.24     0.31  -0.13  -0.28
    14   1     0.25   0.07   0.01    -0.28  -0.03   0.07    -0.05  -0.09  -0.03
    15   1     0.18  -0.12   0.13    -0.14   0.28   0.03     0.04   0.06   0.10
    16   1    -0.15   0.08  -0.06     0.08  -0.16   0.07    -0.08   0.02  -0.03
    17   1    -0.02   0.05  -0.14     0.00  -0.02   0.21    -0.01   0.04  -0.04
    18   1    -0.06  -0.03   0.12     0.02   0.02  -0.01    -0.05  -0.04   0.04
    19   1    -0.04  -0.16   0.24    -0.01  -0.06   0.11     0.12  -0.10  -0.12
    20   1     0.03   0.11   0.33     0.04   0.08   0.14     0.24  -0.12  -0.17
    21   1    -0.03  -0.14   0.22    -0.00  -0.05   0.08     0.17   0.18  -0.13
    22   1    -0.14   0.02  -0.14    -0.17  -0.38  -0.22    -0.16   0.04  -0.09
    23   1    -0.07   0.03  -0.13    -0.06  -0.16   0.23    -0.01   0.06  -0.05
    24   1     0.00   0.04  -0.20     0.02   0.10  -0.24    -0.06   0.14  -0.14
    25   1    -0.06  -0.31  -0.20    -0.07   0.11  -0.02     0.08  -0.16   0.03
    26   1    -0.17   0.08   0.06    -0.06   0.01  -0.00     0.05   0.08  -0.00
    27   1     0.29  -0.01  -0.07    -0.14   0.03   0.02     0.23  -0.00   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    384.1976               394.8692               415.0588
 Red. masses --      2.4672                 2.4319                 2.1364
 Frc consts  --      0.2146                 0.2234                 0.2168
 IR Inten    --      0.9841                 0.2125                 1.6720
 RamAct Fr= 1--      0.5521                 1.8883                 0.5272
  Dep-P Fr= 1--      0.4115                 0.1987                 0.6704
  Dep-U Fr= 1--      0.5831                 0.3316                 0.8027
 Alpha2 Fr= 1--      0.0039                 0.0257                 0.0007
 Beta2  Fr= 1--      0.0537                 0.1043                 0.0705
 AlphaG Fr= 1--     -0.0156                -0.0167                -0.0059
 Gamma2 Fr= 1--     -0.1839                -0.2717                 0.2527
 Delta2 Fr= 1--     -0.0509                -0.2359                 0.1496
 Raman1 Fr= 1--       2.208                  7.553                  2.109
 ROA1   Fr= 1--     -19.288                -33.628                 29.050
 CID1   Fr= 1--      -8.734                 -4.452                 13.777
 Raman2 Fr= 1--       0.644                  1.252                  0.846
 ROA2   Fr= 1--      -4.007                 -4.633                  4.869
 CID2   Fr= 1--      -6.224                 -3.700                  5.753
 Raman3 Fr= 1--       1.288                  2.504                  1.693
 ROA3   Fr= 1--     -19.288                -33.628                 29.050
 CID3   Fr= 1--     -14.979                -13.428                 17.163
 RC180  Fr= 1--       0.166                 -0.337                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.09     0.00   0.02  -0.01    -0.04   0.07   0.03
     2   6     0.06  -0.00   0.13    -0.02   0.05  -0.03    -0.02   0.06   0.03
     3   6    -0.01  -0.10   0.08    -0.02   0.05  -0.03     0.02  -0.05  -0.04
     4   6    -0.08  -0.01  -0.04    -0.05   0.06  -0.02     0.11  -0.07  -0.11
     5   6    -0.00   0.08   0.01    -0.04   0.04  -0.02    -0.04   0.08  -0.04
     6   6     0.05   0.02   0.05    -0.05   0.03  -0.03    -0.03   0.01   0.04
     7   6    -0.03   0.13  -0.04    -0.06   0.03  -0.05     0.00  -0.05   0.14
     8   6     0.00   0.09  -0.05     0.01   0.03   0.03     0.02   0.08   0.01
     9   8     0.07  -0.04  -0.07    -0.04   0.00   0.03    -0.01  -0.06  -0.04
    10   6    -0.04  -0.04  -0.05     0.05  -0.16   0.15    -0.06   0.01   0.03
    11   6    -0.00  -0.13   0.01     0.18  -0.09  -0.06     0.01  -0.01  -0.02
    12   1    -0.00  -0.13   0.10     0.01   0.07  -0.01    -0.04  -0.16  -0.04
    13   1    -0.04  -0.21   0.06    -0.01   0.04  -0.06     0.02  -0.00  -0.03
    14   1    -0.16  -0.07  -0.06    -0.06   0.05  -0.01     0.29   0.02  -0.30
    15   1    -0.11   0.06  -0.10    -0.05   0.07  -0.02     0.20  -0.30   0.00
    16   1    -0.09   0.27  -0.02    -0.06  -0.01  -0.05     0.28  -0.30   0.13
    17   1    -0.02   0.09  -0.22    -0.05   0.03  -0.03    -0.12  -0.04   0.48
    18   1    -0.02   0.17  -0.04    -0.08   0.07  -0.02    -0.04   0.13  -0.08
    19   1     0.00   0.29  -0.06     0.01  -0.05   0.03     0.03   0.09  -0.00
    20   1    -0.06  -0.07  -0.20     0.04   0.08   0.08     0.04   0.04  -0.03
    21   1    -0.03   0.17  -0.12     0.02   0.01   0.06     0.03   0.15  -0.01
    22   1    -0.19  -0.13  -0.12     0.25  -0.34   0.08    -0.02  -0.01   0.02
    23   1    -0.13  -0.06   0.00    -0.04  -0.20   0.37    -0.14   0.00   0.03
    24   1     0.09  -0.02  -0.22    -0.02  -0.14   0.22    -0.04  -0.04   0.03
    25   1    -0.08  -0.30  -0.12     0.21  -0.31   0.05     0.04  -0.09   0.04
    26   1    -0.14  -0.19   0.17     0.20  -0.02  -0.11     0.05  -0.09  -0.03
    27   1     0.12  -0.08  -0.15     0.37  -0.02  -0.18     0.01   0.01  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    475.8054               524.0110               560.9464
 Red. masses --      3.2697                 2.9269                 4.2261
 Frc consts  --      0.4361                 0.4735                 0.7835
 IR Inten    --      0.8894                 6.2328                 3.1570
 RamAct Fr= 1--      2.6109                 0.8338                 7.1427
  Dep-P Fr= 1--      0.5775                 0.4381                 0.2021
  Dep-U Fr= 1--      0.7321                 0.6093                 0.3363
 Alpha2 Fr= 1--      0.0085                 0.0054                 0.0965
 Beta2  Fr= 1--      0.3186                 0.0847                 0.4004
 AlphaG Fr= 1--     -0.0110                 0.0055                -0.1203
 Gamma2 Fr= 1--     -1.1402                 0.6272                -0.3780
 Delta2 Fr= 1--     -0.0694                 0.0829                 0.3664
 Raman1 Fr= 1--      10.444                  3.335                 28.571
 ROA1   Fr= 1--    -111.677                 62.869                -24.560
 CID1   Fr= 1--     -10.693                 18.850                 -0.860
 Raman2 Fr= 1--       3.823                  1.016                  4.804
 ROA2   Fr= 1--     -26.808                 14.390                -12.002
 CID2   Fr= 1--      -7.012                 14.163                 -2.498
 Raman3 Fr= 1--       7.646                  2.032                  9.608
 ROA3   Fr= 1--    -111.677                 62.869                -24.560
 CID3   Fr= 1--     -14.606                 30.937                 -2.556
 RC180  Fr= 1--       0.464                  0.219                 -0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.08  -0.08     0.03   0.08   0.09    -0.05   0.03  -0.08
     2   6     0.03  -0.02   0.07     0.12  -0.08  -0.05     0.04  -0.01  -0.09
     3   6     0.05  -0.04   0.08     0.02   0.04  -0.02    -0.05  -0.10  -0.06
     4   6     0.04   0.01   0.03     0.02   0.06  -0.02    -0.07  -0.18   0.12
     5   6    -0.05   0.05   0.02    -0.09   0.12   0.00    -0.14  -0.02   0.16
     6   6    -0.06  -0.10   0.12     0.10  -0.06  -0.07     0.13   0.12  -0.01
     7   6    -0.09  -0.06   0.02    -0.05  -0.12  -0.07    -0.10   0.11   0.13
     8   6    -0.02   0.01   0.01    -0.04  -0.11  -0.04     0.01  -0.06  -0.05
     9   8    -0.12   0.04   0.01     0.04   0.14   0.10     0.19   0.06   0.00
    10   6     0.19  -0.08  -0.07    -0.05   0.00  -0.00    -0.03  -0.02   0.02
    11   6    -0.06   0.11  -0.16    -0.01  -0.04   0.05     0.03   0.09  -0.14
    12   1     0.12  -0.11   0.17    -0.09   0.17  -0.17    -0.06   0.03  -0.14
    13   1     0.10  -0.06  -0.03    -0.08   0.04   0.16    -0.09  -0.07   0.02
    14   1     0.12   0.04  -0.11     0.08   0.09  -0.13     0.14  -0.08  -0.08
    15   1     0.10  -0.11   0.11     0.07  -0.03   0.07     0.04  -0.40   0.29
    16   1    -0.10   0.15   0.06     0.00  -0.33  -0.10    -0.35   0.13   0.11
    17   1    -0.16  -0.14  -0.16    -0.27  -0.21   0.10    -0.03   0.10  -0.05
    18   1    -0.14   0.10   0.07    -0.20   0.23   0.03    -0.03  -0.06   0.07
    19   1    -0.02   0.14   0.00    -0.09   0.05   0.03     0.02  -0.07  -0.07
    20   1    -0.08  -0.04  -0.05    -0.14  -0.07  -0.01     0.02  -0.06  -0.05
    21   1    -0.05  -0.00  -0.03    -0.16  -0.30  -0.10     0.02  -0.04  -0.04
    22   1     0.31  -0.19  -0.11    -0.17  -0.05  -0.05     0.13  -0.11   0.00
    23   1     0.04  -0.11   0.04    -0.21  -0.02  -0.02    -0.15  -0.04   0.10
    24   1     0.21  -0.14  -0.06     0.11  -0.08  -0.15    -0.06  -0.09   0.09
    25   1    -0.15   0.19  -0.36    -0.02  -0.12   0.03     0.06   0.10  -0.08
    26   1    -0.18   0.01   0.01    -0.02  -0.18   0.13     0.06   0.21  -0.22
    27   1    -0.15   0.09  -0.14    -0.02  -0.02  -0.11     0.08   0.09  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    575.6644               617.7959               651.7514
 Red. masses --      3.6014                 2.6551                 3.7585
 Frc consts  --      0.7032                 0.5971                 0.9406
 IR Inten    --      1.1440                 1.4312                 2.9251
 RamAct Fr= 1--      2.7343                 2.7889                35.2731
  Dep-P Fr= 1--      0.4868                 0.5556                 0.0170
  Dep-U Fr= 1--      0.6548                 0.7144                 0.0335
 Alpha2 Fr= 1--      0.0143                 0.0103                 0.7532
 Beta2  Fr= 1--      0.2984                 0.3321                 0.1968
 AlphaG Fr= 1--     -0.0303                -0.0877                 0.4248
 Gamma2 Fr= 1--      0.3619                 0.2406                -0.4237
 Delta2 Fr= 1--     -0.5909                 0.2471                 0.1088
 Raman1 Fr= 1--      10.937                 11.156                141.092
 ROA1   Fr= 1--      15.833                 31.004                -37.196
 CID1   Fr= 1--       1.448                  2.779                 -0.264
 Raman2 Fr= 1--       3.581                  3.985                  2.362
 ROA2   Fr= 1--      13.413                  3.797                -11.040
 CID2   Fr= 1--       3.746                  0.953                 -4.675
 Raman3 Fr= 1--       7.162                  7.969                  4.723
 ROA3   Fr= 1--      15.833                 31.004                -37.196
 CID3   Fr= 1--       2.211                  3.890                 -7.875
 RC180  Fr= 1--       0.310                  0.429                 -0.933
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.06   0.06    -0.03  -0.06  -0.01    -0.04   0.05  -0.02
     2   6     0.05   0.10  -0.05     0.04   0.07  -0.05     0.03   0.04   0.07
     3   6    -0.04  -0.03  -0.11     0.03   0.05  -0.13    -0.03  -0.08   0.11
     4   6    -0.06  -0.12  -0.02    -0.01  -0.01  -0.06    -0.01  -0.08   0.04
     5   6    -0.06  -0.08   0.04    -0.05  -0.06  -0.03     0.05  -0.09   0.01
     6   6    -0.06   0.12  -0.13     0.08  -0.14   0.18     0.06  -0.04  -0.11
     7   6    -0.10  -0.04  -0.02    -0.04  -0.08   0.05     0.04  -0.19  -0.18
     8   6     0.04   0.17   0.05     0.02   0.12   0.04     0.04   0.21   0.09
     9   8    -0.02   0.00   0.07     0.01   0.08  -0.03     0.03   0.05   0.05
    10   6     0.19  -0.03  -0.09    -0.05   0.01   0.01    -0.13   0.03   0.06
    11   6    -0.02  -0.06   0.14     0.01  -0.05   0.05     0.00   0.09  -0.13
    12   1    -0.13   0.03  -0.21     0.04   0.03  -0.12    -0.03  -0.15   0.14
    13   1    -0.12  -0.03   0.02     0.02   0.03  -0.13    -0.03  -0.13   0.09
    14   1    -0.01  -0.09  -0.02     0.02   0.01  -0.04    -0.10  -0.12   0.13
    15   1    -0.04  -0.14   0.05     0.02  -0.01   0.03    -0.07   0.00  -0.07
    16   1    -0.20  -0.28  -0.07    -0.12   0.50   0.13    -0.07  -0.34  -0.22
    17   1     0.02   0.08   0.17    -0.15  -0.28  -0.53     0.03  -0.18  -0.10
    18   1    -0.13   0.08  -0.01    -0.04  -0.05  -0.05    -0.01  -0.12   0.09
    19   1     0.02   0.14   0.08     0.01   0.08   0.07     0.02   0.34   0.12
    20   1     0.05   0.22   0.10     0.01   0.21   0.13    -0.02   0.18   0.05
    21   1     0.02   0.13   0.06     0.00   0.02   0.07    -0.01   0.20   0.04
    22   1     0.03   0.03  -0.09    -0.09   0.05   0.03    -0.03  -0.00   0.06
    23   1     0.18  -0.01  -0.19     0.01   0.02  -0.03    -0.13   0.02   0.12
    24   1     0.28  -0.05  -0.19    -0.06   0.04   0.01    -0.19   0.04   0.12
    25   1    -0.07   0.10   0.02     0.04  -0.04   0.12     0.03   0.03  -0.08
    26   1    -0.08  -0.07   0.20     0.04   0.05  -0.03     0.04   0.10  -0.17
    27   1    -0.13  -0.10   0.26     0.05  -0.05   0.13     0.04   0.11  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    713.9552               754.7638               835.7097
 Red. masses --      3.0064                 2.0851                 1.5088
 Frc consts  --      0.9029                 0.6998                 0.6208
 IR Inten    --      0.6072                10.7292                 0.5101
 RamAct Fr= 1--      5.8693                 3.5375                 1.8269
  Dep-P Fr= 1--      0.4847                 0.6494                 0.1852
  Dep-U Fr= 1--      0.6529                 0.7874                 0.3126
 Alpha2 Fr= 1--      0.0311                 0.0064                 0.0258
 Beta2  Fr= 1--      0.6387                 0.4642                 0.0952
 AlphaG Fr= 1--      0.0535                 0.0174                 0.0880
 Gamma2 Fr= 1--      2.3347                 0.0831                -0.8977
 Delta2 Fr= 1--      0.9403                -0.0670                -0.2628
 Raman1 Fr= 1--      23.477                 14.150                  7.307
 ROA1   Fr= 1--     254.221                  5.832                -94.590
 CID1   Fr= 1--      10.828                  0.412                -12.944
 Raman2 Fr= 1--       7.664                  5.571                  1.142
 ROA2   Fr= 1--      48.510                  2.531                -19.443
 CID2   Fr= 1--       6.330                  0.454                -17.024
 Raman3 Fr= 1--      15.328                 11.142                  2.284
 ROA3   Fr= 1--     254.221                  5.832                -94.590
 CID3   Fr= 1--      16.585                  0.523                -41.411
 RC180  Fr= 1--       0.306                  0.575                 -0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.18   0.12    -0.03  -0.07  -0.04     0.01   0.01   0.02
     2   6     0.03   0.03  -0.10     0.20  -0.05   0.03    -0.10   0.02   0.01
     3   6    -0.01  -0.02  -0.13     0.09  -0.02  -0.01     0.04  -0.04  -0.02
     4   6    -0.02  -0.11   0.04     0.03   0.02  -0.03     0.09   0.01  -0.06
     5   6     0.13  -0.03   0.10    -0.03  -0.05  -0.04     0.04   0.01   0.05
     6   6    -0.09  -0.05  -0.02    -0.07   0.02   0.02     0.03   0.03   0.01
     7   6     0.10  -0.01   0.04    -0.04   0.07   0.05    -0.08  -0.04   0.02
     8   6    -0.00  -0.03  -0.03     0.05   0.01   0.02    -0.04  -0.02  -0.00
     9   8    -0.12  -0.04  -0.00    -0.06  -0.02   0.02     0.04   0.01  -0.01
    10   6    -0.05   0.04   0.05    -0.05  -0.01   0.02     0.02  -0.01  -0.00
    11   6     0.03   0.05  -0.02    -0.00   0.02  -0.06     0.00   0.01  -0.01
    12   1    -0.07   0.08  -0.23    -0.24   0.15  -0.38    -0.30  -0.19  -0.23
    13   1    -0.04   0.07  -0.02    -0.14   0.01   0.45    -0.03   0.25   0.25
    14   1    -0.12  -0.16   0.17    -0.19  -0.11  -0.01    -0.35  -0.26   0.01
    15   1    -0.08   0.05  -0.03    -0.01   0.28   0.02    -0.03   0.48  -0.13
    16   1    -0.10   0.27   0.07     0.05   0.00   0.05    -0.19  -0.04   0.01
    17   1     0.28   0.03  -0.25     0.02   0.14   0.17    -0.15  -0.10  -0.05
    18   1     0.15   0.09  -0.00     0.03  -0.15  -0.01    -0.01  -0.02   0.12
    19   1    -0.05   0.03   0.03    -0.03   0.34   0.12     0.03  -0.21  -0.11
    20   1    -0.06   0.04   0.02    -0.12  -0.01  -0.03     0.09  -0.08  -0.04
    21   1    -0.08  -0.18  -0.06    -0.12  -0.19  -0.11     0.10   0.20   0.07
    22   1    -0.14  -0.08  -0.03    -0.07   0.03   0.03     0.01  -0.00  -0.00
    23   1    -0.35  -0.00   0.09     0.01   0.00  -0.00     0.02  -0.01   0.01
    24   1     0.17  -0.11  -0.13    -0.09   0.03   0.05     0.03  -0.01  -0.00
    25   1    -0.02  -0.06  -0.10     0.02   0.05  -0.02    -0.01   0.00  -0.03
    26   1    -0.02  -0.15   0.12     0.02   0.11  -0.13    -0.01  -0.01   0.02
    27   1     0.02   0.10  -0.28     0.01   0.00   0.03    -0.00   0.02  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    862.7008               872.9886               925.8613
 Red. masses --      2.6432                 2.2037                 2.5963
 Frc consts  --      1.1591                 0.9895                 1.3113
 IR Inten    --      2.8594                 0.7250                 1.5718
 RamAct Fr= 1--      5.1754                10.4059                 7.0716
  Dep-P Fr= 1--      0.1100                 0.2233                 0.1776
  Dep-U Fr= 1--      0.1982                 0.3650                 0.3017
 Alpha2 Fr= 1--      0.0884                 0.1328                 0.1018
 Beta2  Fr= 1--      0.1710                 0.6331                 0.3555
 AlphaG Fr= 1--      0.0160                -0.2640                -0.0084
 Gamma2 Fr= 1--     -0.6110                -0.4060                 2.9756
 Delta2 Fr= 1--     -0.4708                -0.2118                 0.3937
 Raman1 Fr= 1--      20.702                 41.624                 28.287
 ROA1   Fr= 1--     -73.716                -45.754                298.255
 CID1   Fr= 1--      -3.561                 -1.099                 10.544
 Raman2 Fr= 1--       2.052                  7.597                  4.266
 ROA2   Fr= 1--     -10.897                 -8.049                 68.264
 CID2   Fr= 1--      -5.311                 -1.060                 16.000
 Raman3 Fr= 1--       4.104                 15.194                  8.533
 ROA3   Fr= 1--     -73.716                -45.754                298.255
 CID3   Fr= 1--     -17.963                 -3.011                 34.954
 RC180  Fr= 1--      -0.604                 -0.270                 -0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05     0.02   0.00   0.01     0.06   0.01   0.05
     2   6     0.04   0.04  -0.12     0.03  -0.03   0.11     0.02   0.04  -0.07
     3   6    -0.03  -0.11   0.10    -0.07   0.02  -0.12     0.04   0.04   0.21
     4   6     0.01   0.06  -0.05     0.03   0.15  -0.10    -0.02   0.02  -0.12
     5   6     0.12   0.18   0.15     0.07  -0.08   0.08    -0.02  -0.16  -0.10
     6   6    -0.02  -0.05  -0.09    -0.01   0.05  -0.03    -0.01   0.08  -0.01
     7   6     0.01  -0.01   0.08    -0.07  -0.05   0.06    -0.08  -0.04   0.08
     8   6     0.02   0.03  -0.04     0.01  -0.04   0.04    -0.01  -0.01  -0.08
     9   8    -0.05  -0.00   0.02     0.01  -0.00   0.01     0.03   0.00   0.01
    10   6    -0.01  -0.02  -0.02    -0.03   0.01   0.02    -0.02   0.03   0.05
    11   6    -0.02  -0.05   0.01     0.01   0.01  -0.01     0.03   0.04  -0.01
    12   1    -0.04  -0.08   0.07     0.12  -0.07   0.08     0.06   0.06   0.21
    13   1    -0.07  -0.23   0.11    -0.05  -0.25  -0.32     0.04  -0.09   0.14
    14   1     0.03   0.05  -0.29     0.24   0.29  -0.01     0.06   0.06  -0.13
    15   1    -0.03  -0.09  -0.24     0.05  -0.08  -0.20    -0.02  -0.12  -0.20
    16   1    -0.29   0.07   0.06    -0.42  -0.08   0.02    -0.21   0.10   0.09
    17   1    -0.07  -0.11  -0.15     0.08   0.01  -0.06     0.08   0.01  -0.10
    18   1     0.20   0.08   0.15     0.13  -0.27   0.17     0.06  -0.23  -0.14
    19   1    -0.06  -0.07   0.08     0.03   0.23  -0.01    -0.06  -0.34   0.01
    20   1     0.01   0.29   0.19    -0.08  -0.28  -0.19     0.09   0.30   0.21
    21   1    -0.05  -0.24   0.01    -0.03   0.08  -0.08     0.01  -0.22   0.07
    22   1     0.05   0.06   0.03    -0.04   0.01   0.02    -0.19  -0.02   0.00
    23   1     0.19   0.00  -0.03    -0.03   0.01   0.01    -0.19   0.02  -0.01
    24   1    -0.15   0.09   0.08    -0.02   0.01   0.01     0.17  -0.06  -0.13
    25   1     0.04   0.04   0.12    -0.02   0.04  -0.08    -0.03  -0.01  -0.14
    26   1     0.03   0.17  -0.15    -0.02  -0.02   0.04    -0.02  -0.15   0.14
    27   1     0.05  -0.08   0.25    -0.02   0.01  -0.03    -0.03   0.06  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    943.2564               947.6016               960.1503
 Red. masses --      1.7432                 2.1614                 1.6906
 Frc consts  --      0.9138                 1.1435                 0.9183
 IR Inten    --      3.5261                 2.9866                 2.3822
 RamAct Fr= 1--      3.8337                 3.2874                 7.1573
  Dep-P Fr= 1--      0.5145                 0.7408                 0.7376
  Dep-U Fr= 1--      0.6794                 0.8511                 0.8490
 Alpha2 Fr= 1--      0.0177                 0.0005                 0.0015
 Beta2  Fr= 1--      0.4341                 0.4663                 1.0127
 AlphaG Fr= 1--     -0.0084                 0.0093                 0.0152
 Gamma2 Fr= 1--      0.6678                 0.7399                -0.7470
 Delta2 Fr= 1--      1.2595                 1.3053                -2.1010
 Raman1 Fr= 1--      15.335                 13.150                 28.629
 ROA1   Fr= 1--     104.414                112.800               -138.945
 CID1   Fr= 1--       6.809                  8.578                 -4.853
 Raman2 Fr= 1--       5.209                  5.596                 12.153
 ROA2   Fr= 1--       5.952                  7.315                 -1.119
 CID2   Fr= 1--       1.142                  1.307                 -0.092
 Raman3 Fr= 1--      10.419                 11.192                 24.306
 ROA3   Fr= 1--     104.414                112.800               -138.945
 CID3   Fr= 1--      10.022                 10.079                 -5.717
 RC180  Fr= 1--       0.359                  0.702                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.01     0.05  -0.09   0.05    -0.03   0.08  -0.08
     2   6    -0.03  -0.02   0.05     0.00  -0.00   0.04     0.01  -0.01   0.02
     3   6     0.09   0.03   0.01     0.02   0.15   0.01     0.02   0.08   0.04
     4   6    -0.08   0.01  -0.03    -0.04  -0.15  -0.04    -0.02  -0.08  -0.03
     5   6    -0.05   0.04  -0.01     0.10   0.06   0.01     0.04  -0.01  -0.02
     6   6    -0.02   0.05  -0.09     0.01  -0.02   0.00     0.01  -0.02  -0.03
     7   6     0.11  -0.10   0.05    -0.09   0.03   0.01    -0.04   0.01   0.03
     8   6    -0.03  -0.01   0.04     0.00  -0.02   0.01     0.03  -0.02   0.01
     9   8    -0.00  -0.02   0.01    -0.01   0.00   0.00     0.00   0.01   0.01
    10   6    -0.04  -0.02  -0.01    -0.05  -0.05   0.05    -0.02   0.06  -0.09
    11   6     0.03   0.00  -0.01     0.03   0.02  -0.09     0.01  -0.05   0.09
    12   1    -0.08   0.14  -0.18     0.17   0.15   0.14     0.05   0.05   0.07
    13   1    -0.01   0.10   0.23     0.14   0.23  -0.18     0.08   0.18   0.00
    14   1     0.05   0.06  -0.31    -0.04  -0.14   0.06    -0.08  -0.13   0.00
    15   1     0.05  -0.14   0.25    -0.11  -0.09  -0.20    -0.05  -0.01  -0.09
    16   1    -0.19   0.22   0.07    -0.16  -0.16  -0.03    -0.15  -0.04   0.01
    17   1     0.32  -0.06  -0.32    -0.24  -0.04   0.11    -0.08  -0.02  -0.01
    18   1    -0.08   0.23  -0.13     0.14   0.30  -0.22     0.22  -0.09  -0.14
    19   1     0.05  -0.01  -0.08     0.00   0.04   0.00    -0.01   0.16   0.05
    20   1     0.03  -0.19  -0.12    -0.03  -0.07  -0.04    -0.08  -0.06  -0.04
    21   1     0.07   0.24   0.03    -0.01  -0.01  -0.02    -0.06  -0.07  -0.07
    22   1     0.02   0.06   0.05    -0.32   0.17   0.12     0.57  -0.18  -0.12
    23   1     0.15   0.00  -0.01     0.23   0.02  -0.15    -0.19  -0.02   0.28
    24   1    -0.18   0.07   0.11    -0.05   0.13  -0.03    -0.26  -0.07   0.25
    25   1    -0.03   0.08  -0.16    -0.00   0.18  -0.17    -0.04  -0.00  -0.01
    26   1    -0.05  -0.05   0.10    -0.03   0.13  -0.09    -0.06  -0.12   0.20
    27   1    -0.05  -0.02   0.02    -0.02  -0.03   0.11    -0.08  -0.07   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --    965.9966              1002.1255              1031.6657
 Red. masses --      1.5812                 1.7346                 1.5054
 Frc consts  --      0.8693                 1.0264                 0.9440
 IR Inten    --      3.4848                 0.0762                 1.5936
 RamAct Fr= 1--      6.2337                 3.5720                 2.9446
  Dep-P Fr= 1--      0.7243                 0.6505                 0.7138
  Dep-U Fr= 1--      0.8401                 0.7883                 0.8330
 Alpha2 Fr= 1--      0.0028                 0.0064                 0.0018
 Beta2  Fr= 1--      0.8728                 0.4693                 0.4088
 AlphaG Fr= 1--     -0.0025                 0.0261                -0.0007
 Gamma2 Fr= 1--     -0.0689                 0.7971                -0.5635
 Delta2 Fr= 1--     -2.1088                 0.5415                -0.6942
 Raman1 Fr= 1--      24.935                 14.288                 11.778
 ROA1   Fr= 1--     -74.099                 93.846                -76.308
 CID1   Fr= 1--      -2.972                  6.568                 -6.479
 Raman2 Fr= 1--      10.474                  5.631                  4.906
 ROA2   Fr= 1--      15.217                 14.797                 -7.970
 CID2   Fr= 1--       1.453                  2.628                 -1.625
 Raman3 Fr= 1--      20.948                 11.263                  9.812
 ROA3   Fr= 1--     -74.099                 93.846                -76.308
 CID3   Fr= 1--      -3.537                  8.332                 -7.777
 RC180  Fr= 1--       0.680                  0.577                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.03     0.02  -0.00  -0.01    -0.01  -0.01   0.02
     2   6     0.00  -0.01   0.02     0.01  -0.00  -0.03    -0.01  -0.01   0.01
     3   6     0.03   0.04   0.02    -0.01  -0.09  -0.03    -0.01   0.04  -0.01
     4   6    -0.03  -0.03  -0.02     0.02   0.03   0.12    -0.01  -0.01  -0.06
     5   6     0.02  -0.01  -0.01     0.08   0.03  -0.12    -0.06  -0.03   0.09
     6   6     0.00  -0.00  -0.04    -0.01   0.02  -0.01     0.02  -0.06   0.02
     7   6     0.00  -0.02   0.03    -0.08   0.00   0.03     0.03   0.04  -0.02
     8   6     0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03   0.01  -0.03
     9   8     0.00   0.00   0.01    -0.00   0.00   0.00     0.00   0.01  -0.00
    10   6     0.10  -0.04  -0.03    -0.04  -0.05  -0.02    -0.02  -0.07  -0.05
    11   6    -0.10   0.05   0.02     0.04   0.06   0.05     0.04   0.08   0.03
    12   1     0.03   0.07   0.01    -0.01   0.07  -0.12    -0.02  -0.11   0.06
    13   1     0.04   0.08   0.03    -0.09  -0.19   0.07     0.04   0.09  -0.07
    14   1    -0.00  -0.03  -0.05     0.13   0.11   0.27    -0.08  -0.07  -0.19
    15   1    -0.02  -0.06  -0.01     0.04  -0.02   0.15    -0.01   0.03  -0.05
    16   1    -0.13   0.04   0.03    -0.08   0.01   0.03     0.08  -0.06  -0.04
    17   1     0.01  -0.05  -0.12    -0.27  -0.12  -0.03     0.18   0.16   0.12
    18   1     0.15  -0.08  -0.10     0.23   0.02  -0.27    -0.18  -0.09   0.27
    19   1     0.01   0.15   0.02     0.00  -0.05  -0.02    -0.05  -0.00   0.08
    20   1    -0.06  -0.10  -0.07     0.04   0.03   0.02    -0.03   0.17   0.10
    21   1    -0.03   0.01  -0.05     0.03   0.05   0.03    -0.04  -0.20  -0.01
    22   1    -0.04   0.05  -0.01    -0.00   0.13   0.09     0.07   0.13   0.08
    23   1     0.21  -0.01  -0.16     0.30  -0.00  -0.07     0.37  -0.02  -0.06
    24   1     0.14   0.03  -0.11    -0.25   0.15   0.13    -0.28   0.16   0.14
    25   1     0.08  -0.40   0.46    -0.05  -0.11  -0.12    -0.06  -0.09  -0.15
    26   1     0.19   0.01  -0.25    -0.03  -0.29   0.27    -0.03  -0.27   0.26
    27   1     0.22   0.19  -0.38    -0.06   0.10  -0.31    -0.07   0.12  -0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1038.3920              1055.1510              1100.6715
 Red. masses --      1.9881                 2.1209                 1.3160
 Frc consts  --      1.2630                 1.3913                 0.9393
 IR Inten    --     33.9385                27.0705                 2.6754
 RamAct Fr= 1--      4.4112                 2.0403                 2.9227
  Dep-P Fr= 1--      0.6848                 0.6260                 0.6780
  Dep-U Fr= 1--      0.8129                 0.7700                 0.8081
 Alpha2 Fr= 1--      0.0051                 0.0046                 0.0037
 Beta2  Fr= 1--      0.5977                 0.2618                 0.3936
 AlphaG Fr= 1--      0.0194                -0.0255                -0.0072
 Gamma2 Fr= 1--      0.4163                -0.5605                -1.5531
 Delta2 Fr= 1--      0.6107                 0.4693                -0.8395
 Raman1 Fr= 1--      17.645                  8.161                 11.691
 ROA1   Fr= 1--      59.509                -38.789               -175.956
 CID1   Fr= 1--       3.373                 -4.753                -15.051
 Raman2 Fr= 1--       7.172                  3.142                  4.724
 ROA2   Fr= 1--       5.105                -17.206                -30.558
 CID2   Fr= 1--       0.712                 -5.476                 -6.469
 Raman3 Fr= 1--      14.344                  6.284                  9.447
 ROA3   Fr= 1--      59.509                -38.789               -175.956
 CID3   Fr= 1--       4.149                 -6.172                -18.625
 RC180  Fr= 1--       0.626                  0.540                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.01   0.01  -0.02     0.02   0.01  -0.03
     2   6     0.02   0.08   0.01     0.04   0.05  -0.01    -0.03   0.01   0.05
     3   6    -0.06  -0.01   0.02     0.09  -0.00  -0.01     0.02  -0.01  -0.03
     4   6     0.06  -0.03   0.02    -0.08  -0.02  -0.02    -0.05   0.03   0.01
     5   6    -0.01   0.00  -0.04     0.09  -0.00   0.07     0.04  -0.01  -0.01
     6   6    -0.05   0.18   0.06    -0.03   0.10   0.18     0.00   0.00   0.09
     7   6     0.00  -0.12  -0.00    -0.02  -0.05  -0.12     0.00  -0.01  -0.05
     8   6     0.08  -0.08  -0.04    -0.05  -0.03  -0.01     0.03   0.00  -0.06
     9   8     0.03  -0.02  -0.01    -0.01  -0.02  -0.03     0.00  -0.00  -0.02
    10   6    -0.02  -0.03  -0.02    -0.01   0.01  -0.03    -0.01   0.01   0.01
    11   6    -0.02  -0.02   0.01    -0.02   0.01   0.02    -0.02  -0.01   0.00
    12   1     0.02  -0.13   0.15     0.11   0.47  -0.23    -0.15  -0.28  -0.04
    13   1     0.03   0.02  -0.14    -0.09  -0.21   0.20     0.03   0.14   0.03
    14   1    -0.06  -0.08   0.23     0.11   0.08  -0.13     0.03   0.06  -0.18
    15   1    -0.01   0.16  -0.07    -0.10  -0.30  -0.23     0.11   0.00   0.42
    16   1     0.05   0.17   0.05     0.08  -0.17  -0.13    -0.42  -0.33  -0.15
    17   1     0.09  -0.10  -0.17    -0.10  -0.05   0.09     0.20   0.13   0.07
    18   1    -0.39   0.37   0.06    -0.10  -0.04   0.29     0.20   0.10  -0.25
    19   1    -0.05   0.20   0.12     0.03  -0.23  -0.12    -0.06  -0.07   0.08
    20   1    -0.16  -0.02  -0.02     0.10  -0.08  -0.03    -0.02   0.18   0.10
    21   1    -0.16  -0.39  -0.18     0.07   0.13   0.07    -0.04  -0.25  -0.01
    22   1     0.04   0.06   0.04     0.12  -0.02  -0.02    -0.05  -0.00   0.00
    23   1     0.16  -0.01  -0.01     0.00   0.00   0.04    -0.04   0.01  -0.00
    24   1    -0.16   0.09   0.08    -0.10   0.01   0.07     0.02  -0.00  -0.01
    25   1     0.02  -0.02   0.08     0.01  -0.10   0.10     0.02  -0.03   0.08
    26   1     0.02   0.06  -0.07     0.03  -0.03  -0.01     0.02   0.04  -0.06
    27   1     0.04  -0.01   0.05     0.02   0.04  -0.08     0.03  -0.01   0.04
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1118.7863              1150.2234              1172.6014
 Red. masses --      1.4434                 2.0081                 2.4729
 Frc consts  --      1.0645                 1.5653                 2.0033
 IR Inten    --      5.4097                 1.4389                 0.6037
 RamAct Fr= 1--      7.7602                 1.8855                 8.0803
  Dep-P Fr= 1--      0.7461                 0.6653                 0.7499
  Dep-U Fr= 1--      0.8546                 0.7990                 0.8571
 Alpha2 Fr= 1--      0.0005                 0.0028                 0.0000
 Beta2  Fr= 1--      1.1053                 0.2511                 1.1543
 AlphaG Fr= 1--     -0.0002                 0.0191                 0.0036
 Gamma2 Fr= 1--      1.3029                -0.5263                 2.6872
 Delta2 Fr= 1--      0.0740                -1.3917                 0.2546
 Raman1 Fr= 1--      31.041                  7.542                 32.321
 ROA1   Fr= 1--     127.444                -95.059                266.122
 CID1   Fr= 1--       4.106                -12.604                  8.234
 Raman2 Fr= 1--      13.264                  3.013                 13.851
 ROA2   Fr= 1--      30.677                 -1.498                 62.457
 CID2   Fr= 1--       2.313                 -0.497                  4.509
 Raman3 Fr= 1--      26.527                  6.026                 27.702
 ROA3   Fr= 1--     127.444                -95.059                266.122
 CID3   Fr= 1--       4.804                -15.774                  9.606
 RC180  Fr= 1--       0.709                  0.598                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.06    -0.11  -0.06   0.11    -0.03   0.07   0.15
     2   6     0.07  -0.01   0.07    -0.04  -0.04   0.14    -0.14   0.10  -0.08
     3   6     0.00   0.03  -0.02     0.03   0.04  -0.07     0.10  -0.05   0.03
     4   6     0.04  -0.01  -0.03    -0.03  -0.01  -0.01    -0.07   0.07  -0.03
     5   6    -0.01  -0.03   0.00    -0.00   0.03   0.03     0.03  -0.12   0.01
     6   6     0.02  -0.05  -0.03    -0.02   0.07  -0.04     0.04  -0.08  -0.00
     7   6    -0.02   0.01   0.03     0.06  -0.02  -0.01    -0.03   0.04  -0.01
     8   6    -0.07   0.02  -0.05     0.03   0.03  -0.09     0.06  -0.05   0.04
     9   8    -0.01   0.01   0.01     0.01  -0.02   0.00     0.02   0.02  -0.00
    10   6    -0.02  -0.00  -0.06     0.05   0.03  -0.03     0.02  -0.04  -0.05
    11   6    -0.05  -0.01  -0.03     0.03   0.02  -0.05     0.02  -0.04  -0.06
    12   1     0.02  -0.01   0.01    -0.05  -0.03  -0.10    -0.15  -0.08  -0.16
    13   1    -0.10  -0.27   0.01    -0.08  -0.14   0.05    -0.03  -0.03   0.27
    14   1     0.07   0.05   0.37     0.07   0.07   0.15     0.21   0.26   0.20
    15   1     0.01   0.09  -0.05    -0.01  -0.03   0.04    -0.02  -0.20  -0.06
    16   1    -0.09  -0.01   0.02     0.19   0.11   0.02     0.16  -0.00  -0.00
    17   1     0.25   0.17   0.05    -0.44  -0.35  -0.14    -0.06   0.06   0.10
    18   1    -0.16   0.35  -0.15     0.16  -0.13  -0.01    -0.03   0.18  -0.16
    19   1    -0.02  -0.36  -0.09    -0.11  -0.15   0.14     0.01   0.29   0.08
    20   1     0.17   0.12   0.09     0.00   0.31   0.18    -0.20  -0.16  -0.11
    21   1     0.11   0.07   0.16    -0.02  -0.32   0.04    -0.12  -0.08  -0.19
    22   1     0.22  -0.00  -0.02     0.16  -0.10  -0.08     0.15   0.06   0.02
    23   1     0.06  -0.01   0.10    -0.07  -0.01   0.07     0.19  -0.02   0.01
    24   1    -0.20   0.03   0.14     0.08  -0.11   0.00    -0.11   0.06   0.06
    25   1     0.04  -0.02   0.15    -0.02   0.10  -0.17     0.03   0.20  -0.07
    26   1     0.05   0.14  -0.20    -0.04   0.03   0.01    -0.07   0.19  -0.07
    27   1     0.09   0.01   0.03    -0.06  -0.00  -0.01    -0.01  -0.08   0.19
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1190.7283              1217.6680              1227.5882
 Red. masses --      1.6658                 1.9596                 1.7578
 Frc consts  --      1.3916                 1.7119                 1.5607
 IR Inten    --      5.2225                 1.4716                 4.8054
 RamAct Fr= 1--      2.8589                 3.2699                 4.4743
  Dep-P Fr= 1--      0.7450                 0.6803                 0.6129
  Dep-U Fr= 1--      0.8539                 0.8097                 0.7600
 Alpha2 Fr= 1--      0.0002                 0.0040                 0.0113
 Beta2  Fr= 1--      0.4069                 0.4413                 0.5667
 AlphaG Fr= 1--     -0.0000                 0.0091                -0.0521
 Gamma2 Fr= 1--      1.6554                -1.7653                -1.0901
 Delta2 Fr= 1--      0.8186                -1.4784                -1.7453
 Raman1 Fr= 1--      11.435                 13.080                 17.897
 ROA1   Fr= 1--     185.116               -216.781               -160.502
 CID1   Fr= 1--      16.188                -16.574                 -8.968
 Raman2 Fr= 1--       4.882                  5.295                  6.801
 ROA2   Fr= 1--      33.181                -30.541                -12.201
 CID2   Fr= 1--       6.796                 -5.767                 -1.794
 Raman3 Fr= 1--       9.764                 10.591                 13.601
 ROA3   Fr= 1--     185.116               -216.781               -160.502
 CID3   Fr= 1--      18.958                -20.468                -11.800
 RC180  Fr= 1--       0.708                  0.619                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.09  -0.00    -0.10  -0.05   0.05    -0.08   0.17   0.03
     2   6    -0.10  -0.11  -0.06     0.08   0.15  -0.07    -0.02  -0.03   0.03
     3   6     0.01  -0.03   0.01    -0.04   0.05   0.04    -0.02  -0.02  -0.01
     4   6     0.05   0.01  -0.01     0.05  -0.03  -0.05     0.04  -0.03   0.01
     5   6    -0.00   0.03  -0.00    -0.07   0.00   0.05    -0.05   0.05  -0.06
     6   6     0.01  -0.01   0.05    -0.01  -0.01   0.05     0.00   0.00   0.04
     7   6     0.02  -0.00   0.02     0.08   0.01  -0.04     0.01  -0.04  -0.00
     8   6     0.05   0.05   0.02    -0.03  -0.06   0.04     0.00   0.01  -0.03
     9   8     0.02   0.00  -0.01    -0.02  -0.01  -0.01     0.01   0.00  -0.01
    10   6     0.03   0.05   0.01     0.03   0.00  -0.01     0.02  -0.07   0.01
    11   6     0.03   0.04   0.00     0.05   0.03  -0.01     0.04  -0.07  -0.03
    12   1     0.12   0.36  -0.09     0.02  -0.08   0.16     0.19   0.44  -0.06
    13   1    -0.02  -0.09   0.03    -0.16  -0.47  -0.02    -0.03  -0.08  -0.01
    14   1     0.04   0.03   0.23    -0.11  -0.12   0.02    -0.06  -0.09   0.04
    15   1    -0.04   0.04  -0.25     0.11   0.23   0.28     0.00   0.07  -0.04
    16   1    -0.36  -0.17  -0.04    -0.22  -0.22  -0.11    -0.19  -0.09  -0.04
    17   1     0.25   0.14   0.03    -0.10  -0.10  -0.03     0.26   0.10  -0.02
    18   1    -0.20   0.40  -0.09     0.24   0.03  -0.29     0.18  -0.40   0.06
    19   1    -0.01   0.20   0.10     0.07  -0.01  -0.11    -0.03  -0.05   0.03
    20   1    -0.07   0.10   0.04     0.00  -0.26  -0.14     0.01   0.09   0.05
    21   1    -0.02   0.00  -0.04    -0.02   0.10  -0.05     0.01  -0.04   0.03
    22   1     0.04  -0.12  -0.08     0.06  -0.04  -0.03    -0.07   0.12   0.09
    23   1    -0.15   0.01   0.03     0.02  -0.00  -0.01     0.25  -0.01  -0.15
    24   1     0.15  -0.12  -0.05     0.06  -0.04  -0.02     0.02   0.13  -0.08
    25   1    -0.03  -0.05  -0.10    -0.03   0.04  -0.16     0.03   0.21  -0.07
    26   1    -0.02  -0.11   0.11    -0.05  -0.05   0.12    -0.13   0.13   0.05
    27   1    -0.07   0.04  -0.12    -0.11   0.01  -0.06    -0.08  -0.14   0.27
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1247.1377              1268.4348              1274.4583
 Red. masses --      1.8129                 1.9812                 1.4935
 Frc consts  --      1.6613                 1.8781                 1.4293
 IR Inten    --      3.0014                 0.0404                 3.8605
 RamAct Fr= 1--      9.4235                 2.8217                 9.6724
  Dep-P Fr= 1--      0.6025                 0.6126                 0.7281
  Dep-U Fr= 1--      0.7519                 0.7597                 0.8427
 Alpha2 Fr= 1--      0.0257                 0.0071                 0.0036
 Beta2  Fr= 1--      1.1809                 0.3573                 1.3584
 AlphaG Fr= 1--      0.0474                -0.0059                -0.0081
 Gamma2 Fr= 1--      0.6272                 0.1582                 3.4320
 Delta2 Fr= 1--     -1.3271                 0.5078                 1.7803
 Raman1 Fr= 1--      37.694                 11.287                 38.690
 ROA1   Fr= 1--      17.739                 31.438                386.445
 CID1   Fr= 1--       0.471                  2.785                  9.988
 Raman2 Fr= 1--      14.171                  4.287                 16.301
 ROA2   Fr= 1--      25.668                 -0.265                 68.126
 CID2   Fr= 1--       1.811                 -0.062                  4.179
 Raman3 Fr= 1--      28.343                  8.575                 32.602
 ROA3   Fr= 1--      17.739                 31.438                386.445
 CID3   Fr= 1--       0.626                  3.666                 11.853
 RC180  Fr= 1--       0.504                  0.519                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.05   0.18    -0.11  -0.07   0.06    -0.06  -0.04   0.08
     2   6     0.00  -0.06  -0.06     0.02   0.07   0.03     0.11   0.02  -0.03
     3   6    -0.09  -0.05   0.01    -0.01   0.03  -0.04    -0.00  -0.06  -0.00
     4   6     0.03   0.04   0.00     0.00   0.00   0.10    -0.03   0.02   0.02
     5   6     0.02  -0.03  -0.03     0.09   0.05  -0.05    -0.04   0.05  -0.04
     6   6    -0.01   0.03   0.03     0.02  -0.04  -0.02    -0.01   0.01   0.04
     7   6     0.00   0.01  -0.00    -0.15  -0.09  -0.02     0.04  -0.01   0.00
     8   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.04  -0.00   0.01
     9   8     0.00  -0.01  -0.01     0.02   0.02   0.01    -0.01  -0.00  -0.00
    10   6    -0.03   0.02  -0.07     0.03   0.04  -0.01     0.01   0.01  -0.03
    11   6    -0.04   0.01  -0.05     0.03   0.01  -0.01     0.02   0.01  -0.02
    12   1     0.20   0.42   0.02    -0.02  -0.12   0.03    -0.10  -0.28   0.02
    13   1     0.10   0.22  -0.20    -0.08  -0.15   0.01     0.24   0.62  -0.08
    14   1    -0.16  -0.12  -0.48    -0.10  -0.11  -0.43     0.12   0.14   0.25
    15   1     0.11   0.13   0.26    -0.04  -0.06  -0.06    -0.12  -0.18  -0.34
    16   1    -0.02  -0.02  -0.01     0.29   0.26   0.09    -0.23  -0.11  -0.05
    17   1    -0.11  -0.06   0.00     0.53   0.34   0.12     0.08   0.01  -0.02
    18   1     0.06  -0.04  -0.05     0.06  -0.00   0.02     0.03  -0.16   0.05
    19   1     0.01   0.05  -0.00    -0.01  -0.04  -0.00     0.04  -0.06  -0.09
    20   1    -0.00   0.03   0.01    -0.01  -0.04  -0.03     0.10  -0.06  -0.02
    21   1     0.01   0.06  -0.00    -0.01  -0.05  -0.01     0.03   0.06   0.05
    22   1     0.25  -0.01  -0.04     0.08  -0.10  -0.07     0.11  -0.03  -0.03
    23   1     0.02  -0.01   0.19    -0.06   0.01   0.02     0.03  -0.00   0.04
    24   1    -0.17  -0.06   0.15     0.09  -0.10  -0.02    -0.00  -0.04   0.01
    25   1     0.02   0.04   0.05    -0.02   0.05  -0.13    -0.01   0.04  -0.09
    26   1     0.05   0.11  -0.17    -0.03   0.00   0.05    -0.02   0.02   0.01
    27   1     0.10   0.04  -0.04    -0.07  -0.00  -0.05    -0.05   0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1301.2303              1328.1778              1335.2907
 Red. masses --      2.1753                 1.6947                 1.4861
 Frc consts  --      2.1701                 1.7614                 1.5612
 IR Inten    --     11.3922                 3.0963                 1.5146
 RamAct Fr= 1--      6.2819                 7.3752                 3.5489
  Dep-P Fr= 1--      0.7350                 0.5879                 0.7115
  Dep-U Fr= 1--      0.8472                 0.7404                 0.8315
 Alpha2 Fr= 1--      0.0016                 0.0223                 0.0024
 Beta2  Fr= 1--      0.8870                 0.9102                 0.4918
 AlphaG Fr= 1--      0.0243                 0.0013                 0.0175
 Gamma2 Fr= 1--      2.3148                 1.6779                -1.0224
 Delta2 Fr= 1--      2.6924                 1.0160                -0.7537
 Raman1 Fr= 1--      25.127                 29.501                 14.196
 ROA1   Fr= 1--     308.382                193.589               -122.265
 CID1   Fr= 1--      12.273                  6.562                 -8.613
 Raman2 Fr= 1--      10.644                 10.922                  5.902
 ROA2   Fr= 1--      34.016                 32.142                -18.507
 CID2   Fr= 1--       3.196                  2.943                 -3.136
 Raman3 Fr= 1--      21.289                 21.844                 11.803
 ROA3   Fr= 1--     308.382                193.589               -122.265
 CID3   Fr= 1--      14.486                  8.862                -10.359
 RC180  Fr= 1--       0.694                  0.481                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.08   0.03     0.10  -0.05  -0.01     0.02  -0.05   0.02
     2   6    -0.09   0.13   0.06    -0.04   0.02   0.00    -0.02   0.03  -0.01
     3   6     0.04   0.02  -0.04     0.01  -0.03   0.01    -0.00  -0.01   0.03
     4   6     0.03  -0.02   0.10     0.02  -0.00  -0.04    -0.06  -0.06  -0.11
     5   6    -0.07   0.06  -0.11    -0.12   0.07   0.10     0.06   0.09  -0.06
     6   6     0.02  -0.06  -0.02    -0.01   0.02   0.01     0.01  -0.02  -0.01
     7   6     0.07   0.05   0.04    -0.05  -0.07  -0.06    -0.03  -0.01   0.01
     8   6     0.03  -0.03  -0.01     0.02  -0.00   0.00     0.01  -0.01   0.01
     9   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    10   6    -0.03   0.03  -0.01    -0.02   0.01  -0.01    -0.01   0.02  -0.00
    11   6    -0.04   0.01  -0.01    -0.03   0.03  -0.00    -0.01   0.01  -0.00
    12   1     0.01   0.05  -0.07     0.02   0.14  -0.06     0.03   0.08   0.01
    13   1    -0.15  -0.30   0.13     0.04   0.06  -0.00     0.01   0.01   0.02
    14   1    -0.07  -0.11  -0.12     0.08   0.07   0.29     0.12   0.10   0.43
    15   1    -0.14  -0.11  -0.41    -0.03   0.07  -0.14     0.15   0.13   0.57
    16   1    -0.38  -0.23  -0.05     0.28   0.17   0.01    -0.06   0.07   0.03
    17   1    -0.01  -0.03  -0.07     0.25   0.13   0.06     0.12   0.10   0.07
    18   1    -0.09  -0.34   0.22     0.59  -0.21  -0.39    -0.14  -0.29   0.46
    19   1    -0.02  -0.04   0.06    -0.00   0.02   0.03     0.01   0.03   0.00
    20   1    -0.12  -0.07  -0.07    -0.06   0.00  -0.01    -0.04  -0.03  -0.02
    21   1    -0.08  -0.16  -0.09    -0.03  -0.04  -0.05    -0.02   0.01  -0.04
    22   1     0.04  -0.02  -0.02     0.00   0.00   0.00     0.04  -0.04  -0.03
    23   1    -0.06   0.00   0.10    -0.02  -0.00   0.07    -0.02   0.01   0.04
    24   1    -0.07  -0.05   0.07    -0.04  -0.04   0.05     0.01  -0.06   0.01
    25   1     0.01  -0.06   0.11     0.00  -0.09   0.08    -0.00  -0.02   0.00
    26   1     0.08  -0.01  -0.12     0.07  -0.07  -0.04     0.03  -0.03  -0.02
    27   1     0.11   0.04  -0.03     0.08   0.04  -0.01     0.03   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1349.2422              1408.2033              1412.9959
 Red. masses --      2.3322                 1.2362                 1.2841
 Frc consts  --      2.5015                 1.4444                 1.5106
 IR Inten    --      6.6386                 7.3017                 6.3225
 RamAct Fr= 1--      9.2041                 0.0560                 0.6176
  Dep-P Fr= 1--      0.4229                 0.3997                 0.1891
  Dep-U Fr= 1--      0.5944                 0.5711                 0.3181
 Alpha2 Fr= 1--      0.0627                 0.0004                 0.0086
 Beta2  Fr= 1--      0.9119                 0.0053                 0.0327
 AlphaG Fr= 1--      0.0025                -0.0044                -0.0054
 Gamma2 Fr= 1--      0.9503                 0.0167                -0.1441
 Delta2 Fr= 1--     -0.4545                -0.0009                 0.0231
 Raman1 Fr= 1--      36.817                  0.224                  2.471
 ROA1   Fr= 1--      76.687                  1.578                -13.096
 CID1   Fr= 1--       2.083                  7.047                 -5.301
 Raman2 Fr= 1--      10.943                  0.064                  0.393
 ROA2   Fr= 1--      26.443                  0.409                 -3.644
 CID2   Fr= 1--       2.417                  6.406                 -9.274
 Raman3 Fr= 1--      21.885                  0.128                  0.786
 ROA3   Fr= 1--      76.687                  1.578                -13.096
 CID3   Fr= 1--       3.504                 12.340                -16.665
 RC180  Fr= 1--       0.189                  0.142                 -0.364
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.08     0.02   0.00  -0.02     0.00  -0.01   0.00
     2   6     0.02   0.20   0.15    -0.01   0.00   0.01     0.00   0.04   0.02
     3   6    -0.05  -0.14  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.06   0.03    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6     0.02  -0.08  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.01   0.03   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
     8   6    -0.01  -0.04  -0.05     0.00  -0.00  -0.01    -0.02  -0.13  -0.06
     9   8    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    10   6     0.03   0.01   0.02    -0.10   0.02   0.04    -0.02   0.01   0.00
    11   6     0.02   0.01   0.03    -0.00  -0.05   0.08    -0.00   0.02  -0.03
    12   1     0.26   0.61  -0.10     0.03   0.01   0.01     0.00   0.01  -0.01
    13   1     0.15   0.43  -0.04    -0.02   0.01   0.04    -0.00  -0.00  -0.00
    14   1    -0.01   0.02  -0.01    -0.03  -0.02   0.02    -0.01  -0.01  -0.01
    15   1     0.05   0.03   0.06     0.01  -0.03  -0.01    -0.00  -0.01  -0.01
    16   1     0.06  -0.04   0.00    -0.02   0.04   0.00     0.00  -0.03  -0.01
    17   1    -0.05  -0.01  -0.02    -0.03  -0.00   0.06     0.00  -0.00  -0.02
    18   1    -0.10   0.23  -0.10     0.01   0.01  -0.02    -0.00  -0.01  -0.00
    19   1    -0.05  -0.16   0.02    -0.03   0.01   0.04    -0.14   0.54   0.12
    20   1    -0.01  -0.04  -0.04    -0.02   0.01   0.00     0.08   0.34   0.37
    21   1    -0.02  -0.18   0.02     0.03   0.01   0.02     0.32   0.43   0.13
    22   1    -0.12  -0.05  -0.03     0.37  -0.16   0.01     0.06  -0.02  -0.00
    23   1    -0.12   0.01  -0.07     0.42   0.09  -0.10     0.09   0.02   0.01
    24   1     0.03   0.02   0.00     0.29  -0.18  -0.29     0.06  -0.07  -0.05
    25   1    -0.03  -0.05  -0.07    -0.13   0.19  -0.25     0.04  -0.06   0.08
    26   1     0.01  -0.01   0.04     0.11   0.29  -0.22    -0.02  -0.14   0.07
    27   1    -0.08   0.01  -0.07     0.01   0.05  -0.37     0.03  -0.01   0.14
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1428.1950              1457.4142              1482.2448
 Red. masses --      1.2084                 1.0864                 1.0520
 Frc consts  --      1.4522                 1.3596                 1.3618
 IR Inten    --     11.9509                15.3641                 5.4651
 RamAct Fr= 1--      0.7786                12.3260                 3.3783
  Dep-P Fr= 1--      0.2406                 0.6479                 0.7500
  Dep-U Fr= 1--      0.3879                 0.7863                 0.8571
 Alpha2 Fr= 1--      0.0095                 0.0226                 0.0000
 Beta2  Fr= 1--      0.0503                 1.6154                 0.4826
 AlphaG Fr= 1--     -0.0233                 0.0427                -0.0002
 Gamma2 Fr= 1--      0.1485                 2.0706                 1.2033
 Delta2 Fr= 1--      0.1699                 1.5027                 0.3262
 Raman1 Fr= 1--       3.114                 49.304                 13.513
 ROA1   Fr= 1--      19.692                246.859                125.951
 CID1   Fr= 1--       6.323                  5.007                  9.321
 Raman2 Fr= 1--       0.604                 19.384                  5.791
 ROA2   Fr= 1--       2.205                 37.672                 26.269
 CID2   Fr= 1--       3.650                  1.943                  4.536
 Raman3 Fr= 1--       1.208                 38.769                 11.583
 ROA3   Fr= 1--      19.692                246.859                125.951
 CID3   Fr= 1--      16.301                  6.367                 10.874
 RC180  Fr= 1--      -0.224                  0.573                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.01  -0.01   0.01
     2   6     0.00  -0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.01
     3   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
     4   6     0.00   0.01  -0.00     0.01   0.01   0.00    -0.00  -0.01   0.00
     5   6     0.01  -0.01   0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.00  -0.00  -0.00
     8   6     0.00   0.04   0.01    -0.00   0.00  -0.00    -0.00  -0.02   0.02
     9   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.08   0.02   0.03    -0.00   0.00   0.01    -0.01  -0.03   0.01
    11   6    -0.00   0.05  -0.08    -0.01   0.00  -0.02    -0.01   0.02   0.01
    12   1     0.04   0.01   0.03     0.02   0.01   0.01     0.19  -0.03   0.16
    13   1    -0.01   0.04   0.03    -0.01   0.01   0.01    -0.11   0.08   0.23
    14   1    -0.02  -0.01  -0.01    -0.10  -0.06   0.02     0.08   0.04  -0.04
    15   1     0.01  -0.02   0.01     0.03  -0.11  -0.01    -0.03   0.09  -0.01
    16   1     0.08  -0.10  -0.00    -0.36   0.54   0.03    -0.02   0.03   0.00
    17   1     0.01  -0.01  -0.13    -0.18   0.02   0.64    -0.01   0.00   0.03
    18   1    -0.02   0.04  -0.01    -0.02   0.02  -0.02     0.00   0.01  -0.01
    19   1     0.04  -0.14  -0.04     0.01  -0.01  -0.01     0.18   0.01  -0.25
    20   1     0.02  -0.11  -0.11     0.02  -0.01  -0.01     0.04   0.15   0.16
    21   1    -0.09  -0.15  -0.01    -0.01  -0.03  -0.00    -0.17   0.05  -0.25
    22   1     0.30  -0.12   0.01     0.01  -0.06  -0.02     0.29   0.18   0.16
    23   1     0.35   0.07  -0.06     0.01   0.01  -0.07    -0.25  -0.05  -0.02
    24   1     0.24  -0.17  -0.23    -0.00   0.01   0.00     0.06   0.36  -0.25
    25   1     0.13  -0.22   0.26     0.06   0.10   0.11    -0.12  -0.10  -0.23
    26   1    -0.09  -0.34   0.22    -0.06  -0.14   0.11     0.24  -0.15  -0.16
    27   1     0.02  -0.05   0.42     0.16   0.02   0.05     0.06  -0.01   0.16
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1485.3824              1490.0110              1495.2085
 Red. masses --      1.0474                 1.0504                 1.0555
 Frc consts  --      1.3616                 1.3740                 1.3903
 IR Inten    --      7.7794                 9.4446                 4.3587
 RamAct Fr= 1--     14.7507                 6.9331                 1.7346
  Dep-P Fr= 1--      0.7370                 0.6958                 0.7499
  Dep-U Fr= 1--      0.8486                 0.8206                 0.8570
 Alpha2 Fr= 1--      0.0033                 0.0066                 0.0000
 Beta2  Fr= 1--      2.0863                 0.9482                 0.2478
 AlphaG Fr= 1--      0.0072                 0.0098                 0.0001
 Gamma2 Fr= 1--     -3.8282                 1.3742                -2.8522
 Delta2 Fr= 1--     -1.3492                 0.3330                -1.2181
 Raman1 Fr= 1--      59.003                 27.732                  6.938
 ROA1   Fr= 1--    -410.683                142.578               -312.793
 CID1   Fr= 1--      -6.960                  5.141                -45.082
 Raman2 Fr= 1--      25.035                 11.379                  2.973
 ROA2   Fr= 1--     -81.083                 30.316                -58.708
 CID2   Fr= 1--      -3.239                  2.664                -19.746
 Raman3 Fr= 1--      50.070                 22.758                  5.946
 ROA3   Fr= 1--    -410.683                142.578               -312.793
 CID3   Fr= 1--      -8.202                  6.265                -52.602
 RC180  Fr= 1--       0.697                  0.641                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.02
     2   6    -0.00   0.00  -0.02    -0.03   0.00  -0.01    -0.02   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.00     0.00   0.01  -0.01    -0.01  -0.03   0.01
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.02  -0.03    -0.04   0.01  -0.00    -0.02  -0.00   0.01
     9   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00  -0.02  -0.02     0.01   0.00   0.02    -0.00   0.01  -0.03
    11   6     0.01   0.02   0.01    -0.02  -0.00   0.01     0.01  -0.01  -0.01
    12   1     0.04  -0.01   0.05    -0.03   0.02  -0.04     0.17  -0.01   0.14
    13   1    -0.03   0.01   0.06     0.01  -0.04  -0.03    -0.10   0.05   0.20
    14   1     0.08   0.04  -0.04    -0.08  -0.04   0.04     0.22   0.11  -0.10
    15   1    -0.02   0.09  -0.01     0.03  -0.08   0.02    -0.07   0.25  -0.04
    16   1    -0.07   0.10   0.01     0.05  -0.07  -0.00    -0.03   0.04   0.00
    17   1    -0.03   0.01   0.11     0.03   0.00  -0.07    -0.02  -0.00   0.05
    18   1    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    19   1    -0.24   0.07   0.33     0.06   0.35  -0.13     0.17   0.19  -0.27
    20   1     0.05  -0.24  -0.23     0.56  -0.15  -0.04     0.35   0.03   0.10
    21   1     0.24  -0.14   0.40     0.02  -0.38   0.26    -0.13  -0.18  -0.05
    22   1     0.04   0.30   0.16     0.02  -0.18  -0.09    -0.17   0.17   0.05
    23   1    -0.05  -0.06   0.29    -0.05   0.03  -0.24     0.16  -0.03   0.34
    24   1     0.10   0.02  -0.14    -0.09   0.10   0.07     0.08  -0.29   0.02
    25   1    -0.08  -0.25  -0.15    -0.07   0.13  -0.13     0.09   0.05   0.16
    26   1     0.15  -0.00  -0.13     0.14  -0.16  -0.07    -0.18   0.15   0.11
    27   1    -0.17  -0.05   0.13     0.23   0.04   0.05    -0.09  -0.00  -0.15
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1499.2667              1508.7804              1513.7532
 Red. masses --      1.0582                 1.0662                 1.0676
 Frc consts  --      1.4015                 1.4300                 1.4414
 IR Inten    --      6.5751                 0.5007                 7.2308
 RamAct Fr= 1--      3.9266                 6.9207                 3.2395
  Dep-P Fr= 1--      0.7329                 0.7395                 0.7400
  Dep-U Fr= 1--      0.8459                 0.8502                 0.8506
 Alpha2 Fr= 1--      0.0011                 0.0012                 0.0006
 Beta2  Fr= 1--      0.5536                 0.9807                 0.4592
 AlphaG Fr= 1--      0.0142                -0.0066                 0.0061
 Gamma2 Fr= 1--     -0.6677                 2.5329                 0.9208
 Delta2 Fr= 1--     -0.7158                 1.3230                 0.3586
 Raman1 Fr= 1--      15.706                 27.683                 12.958
 ROA1   Fr= 1--     -87.003                285.491                 99.873
 CID1   Fr= 1--      -5.539                 10.313                  7.707
 Raman2 Fr= 1--       6.643                 11.769                  5.511
 ROA2   Fr= 1--     -10.298                 50.205                 19.231
 CID2   Fr= 1--      -1.550                  4.266                  3.490
 Raman3 Fr= 1--      13.286                 23.537                 11.022
 ROA3   Fr= 1--     -87.003                285.491                 99.873
 CID3   Fr= 1--      -6.549                 12.129                  9.061
 RC180  Fr= 1--       0.692                  0.700                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.01     0.02   0.02   0.02
     2   6     0.00  -0.00  -0.02     0.01   0.00  -0.00    -0.00  -0.01  -0.01
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00    -0.01  -0.00  -0.05
     4   6    -0.01  -0.02  -0.00    -0.01  -0.02   0.01     0.00   0.01  -0.01
     5   6    -0.00   0.00   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01   0.02     0.01   0.01  -0.01     0.01   0.02   0.01
    11   6    -0.01  -0.02  -0.02    -0.04  -0.00   0.02     0.01   0.02   0.01
    12   1     0.24  -0.07   0.23     0.02  -0.01   0.03     0.31  -0.08   0.29
    13   1    -0.14   0.11   0.30    -0.00   0.02   0.02    -0.18   0.12   0.38
    14   1     0.14   0.08  -0.05     0.20   0.11  -0.10    -0.07  -0.03   0.03
    15   1    -0.05   0.17  -0.02    -0.07   0.23  -0.04     0.02  -0.08   0.01
    16   1     0.05  -0.07  -0.00     0.01  -0.04  -0.01    -0.02   0.03   0.00
    17   1     0.02  -0.00  -0.07     0.00  -0.01  -0.02    -0.01  -0.00   0.03
    18   1     0.01   0.00  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
    19   1    -0.15  -0.02   0.22    -0.04  -0.12   0.08    -0.02  -0.02   0.04
    20   1    -0.09  -0.10  -0.11    -0.17  -0.00  -0.04    -0.05   0.01  -0.00
    21   1     0.14   0.02   0.17     0.02   0.08  -0.03     0.02   0.04   0.00
    22   1     0.16  -0.08  -0.01    -0.22  -0.00  -0.05    -0.21  -0.31  -0.20
    23   1    -0.18   0.01  -0.21     0.18   0.00   0.14     0.14   0.06  -0.22
    24   1    -0.04   0.25  -0.06     0.01  -0.27   0.12    -0.15  -0.16   0.26
    25   1     0.13   0.32   0.24    -0.12   0.29  -0.24    -0.07  -0.29  -0.12
    26   1    -0.23   0.01   0.20     0.24  -0.37  -0.08     0.13   0.07  -0.14
    27   1     0.21   0.07  -0.19     0.48   0.07   0.15    -0.24  -0.06   0.13
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1523.0998              1814.7888              3033.3882
 Red. masses --      1.0803                12.5620                 1.0388
 Frc consts  --      1.4765                24.3760                 5.6318
 IR Inten    --      7.4158               370.7922                18.0020
 RamAct Fr= 1--      7.7372                37.6388                 8.6412
  Dep-P Fr= 1--      0.5440                 0.5207                 0.7224
  Dep-U Fr= 1--      0.7047                 0.6848                 0.8388
 Alpha2 Fr= 1--      0.0306                 0.1682                 0.0041
 Beta2  Fr= 1--      0.9087                 4.2957                 1.2081
 AlphaG Fr= 1--      0.0179                 0.1655                -0.0274
 Gamma2 Fr= 1--     -1.8982                 1.3443                 1.9099
 Delta2 Fr= 1--     -0.8701                 1.8150                 0.7455
 Raman1 Fr= 1--      30.949                150.555                 34.565
 ROA1   Fr= 1--    -210.074                187.134                207.205
 CID1   Fr= 1--      -6.788                  1.243                  5.995
 Raman2 Fr= 1--      10.905                 51.548                 14.497
 ROA2   Fr= 1--     -38.597                 17.744                 39.873
 CID2   Fr= 1--      -3.540                  0.344                  2.750
 Raman3 Fr= 1--      21.809                103.096                 28.994
 ROA3   Fr= 1--    -210.074                187.134                207.205
 CID3   Fr= 1--      -9.632                  1.815                  7.146
 RC180  Fr= 1--       0.409                  0.370                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.03    -0.01  -0.02   0.01    -0.00   0.00   0.00
     4   6    -0.02  -0.05   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.01  -0.01    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.77   0.26  -0.01     0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.01    -0.05  -0.01   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     9   8     0.00   0.00   0.00    -0.50  -0.17   0.01     0.00  -0.00   0.00
    10   6    -0.01   0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.00
    11   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.03
    12   1    -0.17   0.04  -0.15    -0.03   0.06  -0.04     0.01  -0.01  -0.01
    13   1     0.09  -0.07  -0.20     0.04   0.01  -0.03    -0.01   0.00  -0.01
    14   1     0.43   0.22  -0.21     0.01   0.00   0.01    -0.01   0.01  -0.00
    15   1    -0.16   0.50  -0.09    -0.01   0.02  -0.01     0.01   0.00  -0.00
    16   1    -0.07   0.08   0.00     0.05   0.07   0.02     0.00   0.01  -0.04
    17   1    -0.04  -0.00   0.10     0.08   0.06   0.03     0.01  -0.01   0.00
    18   1    -0.01  -0.02   0.01    -0.03  -0.02  -0.02     0.00   0.00   0.00
    19   1     0.01   0.01  -0.01     0.04  -0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.01   0.00   0.00     0.03  -0.01  -0.03     0.00   0.00  -0.00
    21   1    -0.00  -0.01  -0.00    -0.06  -0.10  -0.03     0.02  -0.01  -0.01
    22   1     0.09  -0.27  -0.12    -0.00   0.00   0.00    -0.02  -0.11   0.21
    23   1     0.00   0.06  -0.32     0.00   0.00   0.00    -0.04   0.40   0.06
    24   1    -0.07   0.10   0.05     0.01  -0.00  -0.01    -0.36  -0.16  -0.32
    25   1    -0.01  -0.19  -0.01     0.00   0.03  -0.00    -0.28   0.02   0.12
    26   1     0.02   0.08  -0.05    -0.01  -0.02   0.02     0.34   0.17   0.33
    27   1    -0.19  -0.04   0.05     0.02   0.00   0.00     0.08  -0.39  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3036.6864              3039.8926              3056.3578
 Red. masses --      1.0366                 1.0382                 1.0594
 Frc consts  --      5.6322                 5.6524                 5.8307
 IR Inten    --     28.2371                54.1337                37.0176
 RamAct Fr= 1--     12.6259               626.5291               116.3106
  Dep-P Fr= 1--      0.7287                 0.0132                 0.3273
  Dep-U Fr= 1--      0.8431                 0.0260                 0.4932
 Alpha2 Fr= 1--      0.0046                13.5008                 1.0974
 Beta2  Fr= 1--      1.7741                 2.7133                 9.5612
 AlphaG Fr= 1--      0.0202                 0.6683                -0.7245
 Gamma2 Fr= 1--      2.8696                 1.2241                 6.0664
 Delta2 Fr= 1--      1.8006                -2.0109                -7.1132
 Raman1 Fr= 1--      50.504               2506.116                465.242
 ROA1   Fr= 1--     333.096                 53.169                354.749
 CID1   Fr= 1--       6.595                  0.021                  0.763
 Raman2 Fr= 1--      21.289                 32.560                114.734
 ROA2   Fr= 1--      54.465                 45.466                202.499
 CID2   Fr= 1--       2.558                  1.396                  1.765
 Raman3 Fr= 1--      42.578                 65.119                229.468
 ROA3   Fr= 1--     333.096                 53.169                354.749
 CID3   Fr= 1--       7.823                  0.816                  1.546
 RC180  Fr= 1--       0.686                 -0.948                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.01  -0.00  -0.06
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.03   0.01
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.04   0.02    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6     0.02  -0.01   0.00     0.03  -0.01   0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.02     0.01  -0.01   0.02    -0.00   0.00   0.00
    12   1    -0.01   0.01   0.01     0.04  -0.03  -0.05    -0.38   0.22   0.41
    13   1     0.02  -0.00   0.01    -0.05   0.01  -0.02     0.53  -0.16   0.26
    14   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.22   0.34  -0.03
    15   1     0.01   0.00  -0.00     0.02   0.00  -0.01     0.29   0.05  -0.10
    16   1    -0.00  -0.00   0.02    -0.00  -0.01   0.05    -0.00   0.00   0.00
    17   1    -0.01   0.01  -0.00    -0.02   0.03  -0.01     0.01  -0.03   0.01
    18   1     0.01   0.00   0.01     0.02   0.01   0.02    -0.03  -0.02  -0.02
    19   1    -0.35   0.00  -0.23     0.27  -0.00   0.18     0.03   0.00   0.02
    20   1    -0.06  -0.28   0.34     0.04   0.21  -0.25     0.01   0.03  -0.03
    21   1     0.40  -0.15  -0.28    -0.30   0.11   0.21    -0.03   0.01   0.02
    22   1    -0.02  -0.07   0.12    -0.02  -0.10   0.18    -0.00  -0.00   0.00
    23   1    -0.02   0.25   0.04    -0.03   0.32   0.05    -0.00   0.02   0.00
    24   1    -0.21  -0.09  -0.19    -0.30  -0.13  -0.27    -0.02  -0.01  -0.01
    25   1     0.17  -0.01  -0.08     0.23  -0.02  -0.10     0.01  -0.00  -0.00
    26   1    -0.20  -0.10  -0.19    -0.26  -0.13  -0.25    -0.01  -0.00  -0.01
    27   1    -0.05   0.24   0.05    -0.06   0.28   0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3063.2246              3065.3004              3084.2697
 Red. masses --      1.0611                 1.0624                 1.1007
 Frc consts  --      5.8665                 5.8815                 6.1693
 IR Inten    --     23.8081                36.5738                 6.0901
 RamAct Fr= 1--     62.5162               456.7040                23.9080
  Dep-P Fr= 1--      0.2837                 0.0527                 0.7394
  Dep-U Fr= 1--      0.4420                 0.1002                 0.8502
 Alpha2 Fr= 1--      0.6729                 8.9625                 0.0043
 Beta2  Fr= 1--      4.6052                 7.6275                 3.3876
 AlphaG Fr= 1--      0.2085                -1.3478                -0.0104
 Gamma2 Fr= 1--      1.2316               -16.3582                 2.3590
 Delta2 Fr= 1--     -2.1911                -6.2976                -1.4402
 Raman1 Fr= 1--     250.065               1826.816                 95.632
 ROA1   Fr= 1--      48.113              -1771.909                180.377
 CID1   Fr= 1--       0.192                 -0.970                  1.886
 Raman2 Fr= 1--      55.263                 91.530                 40.652
 ROA2   Fr= 1--      47.086               -342.216                 68.138
 CID2   Fr= 1--       0.852                 -3.739                  1.676
 Raman3 Fr= 1--     110.526                183.060                 81.304
 ROA3   Fr= 1--      48.113              -1771.909                180.377
 CID3   Fr= 1--       0.435                 -9.679                  2.219
 RC180  Fr= 1--      -0.116                 -0.800                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.03    -0.00   0.00   0.00
     4   6    -0.00   0.02  -0.01    -0.01  -0.05   0.02     0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.02   0.01   0.01    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.03  -0.04  -0.04     0.01  -0.01  -0.02     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00   0.01
     9   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03  -0.06  -0.04
    11   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.04   0.02
    12   1    -0.10   0.06   0.11     0.23  -0.13  -0.24     0.01  -0.00  -0.01
    13   1     0.11  -0.03   0.05    -0.25   0.08  -0.12     0.01  -0.00   0.00
    14   1     0.15  -0.23   0.02    -0.32   0.49  -0.04     0.00  -0.00   0.00
    15   1    -0.15  -0.02   0.05     0.45   0.07  -0.15    -0.02  -0.00   0.00
    16   1    -0.05  -0.12   0.58    -0.02  -0.05   0.24    -0.00  -0.00   0.01
    17   1    -0.34   0.59  -0.16    -0.11   0.19  -0.05    -0.00   0.00  -0.00
    18   1    -0.06  -0.05  -0.07    -0.18  -0.14  -0.18     0.01   0.01   0.01
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.01     0.02  -0.00   0.02
    20   1     0.00   0.00  -0.00    -0.00  -0.02   0.02     0.01   0.06  -0.07
    21   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01     0.07  -0.03  -0.05
    22   1     0.00   0.01  -0.01    -0.01  -0.01   0.03    -0.01  -0.05   0.05
    23   1    -0.00   0.01   0.00     0.00  -0.03  -0.01    -0.08   0.65   0.09
    24   1    -0.01  -0.00  -0.01     0.05   0.02   0.04     0.40   0.16   0.35
    25   1     0.04  -0.00  -0.02     0.02  -0.00  -0.01    -0.02   0.01   0.01
    26   1     0.05   0.02   0.05     0.03   0.02   0.03    -0.21  -0.10  -0.20
    27   1     0.01  -0.04  -0.01     0.00  -0.02  -0.00     0.08  -0.35  -0.07
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3084.7627              3088.3919              3090.8513
 Red. masses --      1.1019                 1.0906                 1.0999
 Frc consts  --      6.1777                 6.1291                 6.1912
 IR Inten    --     10.0793                44.0750                62.7907
 RamAct Fr= 1--    138.6260               368.9229               174.5217
  Dep-P Fr= 1--      0.2329                 0.1298                 0.7104
  Dep-U Fr= 1--      0.3778                 0.2298                 0.8307
 Alpha2 Fr= 1--      1.7229                 6.0004                 0.1198
 Beta2  Fr= 1--      8.7279                14.1294                24.1617
 AlphaG Fr= 1--     -1.2775                 2.7683                -0.2081
 Gamma2 Fr= 1--    -24.9236                53.3137                -8.6840
 Delta2 Fr= 1--    -22.5239                26.2965                -1.6007
 Raman1 Fr= 1--     554.504               1475.692                698.087
 ROA1   Fr= 1--   -3113.434               5959.603               -884.883
 CID1   Fr= 1--      -5.615                  4.039                 -1.268
 Raman2 Fr= 1--     104.735                169.553                289.941
 ROA2   Fr= 1--    -417.976               1069.156               -195.609
 CID2   Fr= 1--      -3.991                  6.306                 -0.675
 Raman3 Fr= 1--     209.470                339.106                579.882
 ROA3   Fr= 1--   -3113.434               5959.603               -884.883
 CID3   Fr= 1--     -14.863                 17.574                 -1.526
 RC180  Fr= 1--      -0.244                 -0.540                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.06   0.02   0.01     0.04  -0.01  -0.00    -0.00   0.00  -0.00
     4   6     0.05  -0.02  -0.01    -0.02  -0.01   0.01     0.00   0.00  -0.00
     5   6    -0.02  -0.02  -0.02    -0.04  -0.03  -0.04    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.03  -0.02
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.03  -0.07  -0.04
    12   1     0.30  -0.17  -0.35    -0.15   0.09   0.17     0.01  -0.01  -0.01
    13   1     0.38  -0.12   0.21    -0.30   0.09  -0.16     0.03  -0.01   0.02
    14   1    -0.21   0.34  -0.04    -0.02   0.03  -0.00    -0.00   0.00   0.00
    15   1    -0.36  -0.07   0.13     0.30   0.06  -0.11    -0.02  -0.00   0.01
    16   1    -0.01  -0.01   0.07    -0.00  -0.00   0.01    -0.00  -0.00   0.02
    17   1    -0.06   0.10  -0.03    -0.10   0.17  -0.04     0.02  -0.03   0.01
    18   1     0.29   0.22   0.28     0.51   0.39   0.50     0.02   0.02   0.02
    19   1    -0.03   0.00  -0.02    -0.01  -0.00  -0.00     0.08   0.00   0.05
    20   1    -0.00  -0.02   0.02     0.00   0.01  -0.01    -0.01  -0.05   0.06
    21   1    -0.02   0.01   0.02     0.03  -0.01  -0.02    -0.02   0.01   0.01
    22   1     0.00   0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.03   0.04
    23   1     0.00  -0.04  -0.00     0.00  -0.03  -0.00    -0.05   0.36   0.05
    24   1    -0.01  -0.00  -0.01     0.02   0.01   0.01     0.22   0.09   0.19
    25   1    -0.00   0.00   0.00    -0.02   0.00   0.01     0.07  -0.02  -0.04
    26   1    -0.00  -0.00  -0.00     0.02   0.01   0.02     0.38   0.17   0.37
    27   1     0.01  -0.04  -0.01     0.00   0.00   0.00    -0.14   0.62   0.12
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3098.5939              3100.3008              3101.6156
 Red. masses --      1.1037                 1.1018                 1.1011
 Frc consts  --      6.2436                 6.2395                 6.2412
 IR Inten    --      2.2189                17.2676                23.6363
 RamAct Fr= 1--     71.3833               124.1166               112.6842
  Dep-P Fr= 1--      0.7441                 0.7002                 0.7500
  Dep-U Fr= 1--      0.8533                 0.8237                 0.8571
 Alpha2 Fr= 1--      0.0071                 0.1078                 0.0000
 Beta2  Fr= 1--     10.1517                17.0381                16.0975
 AlphaG Fr= 1--     -0.0661                -0.1628                -0.0043
 Gamma2 Fr= 1--    -38.6758               -27.5684                22.1504
 Delta2 Fr= 1--     -3.0416                -7.4314                12.3394
 Raman1 Fr= 1--     285.533                496.467                450.737
 ROA1   Fr= 1--   -3810.210              -2884.370               2521.297
 CID1   Fr= 1--     -13.344                 -5.810                  5.594
 Raman2 Fr= 1--     121.821                204.458                193.170
 ROA2   Fr= 1--    -903.887               -602.189                432.894
 CID2   Fr= 1--      -7.420                 -2.945                  2.241
 Raman3 Fr= 1--     243.641                408.915                386.339
 ROA3   Fr= 1--   -3810.210              -2884.370               2521.297
 CID3   Fr= 1--     -15.639                 -7.054                  6.526
 RC180  Fr= 1--       0.707                  0.647                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
     4   6     0.03  -0.01  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.02   0.04  -0.06     0.00  -0.01   0.02    -0.00   0.01  -0.01
     8   6    -0.01  -0.01   0.02    -0.08  -0.00   0.03    -0.03   0.04  -0.07
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00  -0.00   0.00
    11   6    -0.03   0.01   0.01     0.01  -0.01  -0.00     0.00   0.01   0.01
    12   1    -0.10   0.06   0.12     0.01  -0.00  -0.01    -0.05   0.03   0.05
    13   1    -0.17   0.05  -0.09     0.01  -0.00   0.00    -0.06   0.02  -0.03
    14   1    -0.09   0.15  -0.01    -0.03   0.05  -0.01    -0.04   0.06  -0.01
    15   1    -0.22  -0.05   0.08    -0.07  -0.01   0.02    -0.07  -0.01   0.03
    16   1    -0.06  -0.10   0.57     0.02   0.03  -0.16    -0.01  -0.02   0.09
    17   1     0.26  -0.44   0.10    -0.07   0.12  -0.03     0.03  -0.06   0.01
    18   1     0.05   0.04   0.05    -0.03  -0.02  -0.02     0.01   0.01   0.01
    19   1    -0.01  -0.00  -0.00     0.40   0.00   0.29     0.56   0.01   0.36
    20   1     0.02   0.13  -0.15     0.03   0.25  -0.28    -0.10  -0.46   0.52
    21   1     0.13  -0.05  -0.09     0.56  -0.22  -0.41    -0.05   0.02   0.02
    22   1     0.01   0.04  -0.07     0.00   0.02  -0.02     0.00   0.02  -0.03
    23   1     0.00  -0.01  -0.00     0.01  -0.07  -0.01     0.00  -0.00   0.00
    24   1    -0.03  -0.01  -0.02    -0.04  -0.02  -0.03    -0.02  -0.01  -0.01
    25   1     0.31  -0.02  -0.14    -0.08   0.00   0.04    -0.00   0.00   0.00
    26   1     0.08   0.05   0.09     0.00  -0.00  -0.00    -0.05  -0.02  -0.05
    27   1     0.02  -0.12  -0.02    -0.02   0.09   0.02     0.02  -0.11  -0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3104.3991              3111.9872              3126.8945
 Red. masses --      1.1045                 1.0987                 1.0961
 Frc consts  --      6.2714                 6.2690                 6.3141
 IR Inten    --     96.6756                26.4896                35.1536
 RamAct Fr= 1--    138.3931               102.5136               100.0057
  Dep-P Fr= 1--      0.7212                 0.6419                 0.5441
  Dep-U Fr= 1--      0.8380                 0.7819                 0.7047
 Alpha2 Fr= 1--      0.0686                 0.2000                 0.3952
 Beta2  Fr= 1--     19.3292                13.3588                11.7458
 AlphaG Fr= 1--     -0.1824                -0.3354                -0.2568
 Gamma2 Fr= 1--    -10.8921                43.7700                -5.3175
 Delta2 Fr= 1--     -6.2035                14.6773                -0.0052
 Raman1 Fr= 1--     553.572                410.055                400.023
 ROA1   Fr= 1--   -1244.156               4671.595               -510.647
 CID1   Fr= 1--      -2.248                 11.393                 -1.277
 Raman2 Fr= 1--     231.951                160.306                140.949
 ROA2   Fr= 1--    -211.782                933.063               -127.578
 CID2   Fr= 1--      -0.913                  5.821                 -0.905
 Raman3 Fr= 1--     463.902                320.612                281.899
 ROA3   Fr= 1--   -1244.156               4671.595               -510.647
 CID3   Fr= 1--      -2.682                 14.571                 -1.811
 RC180  Fr= 1--       0.676                  0.564                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.05   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     4   6    -0.06   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.01  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.01   0.02  -0.02     0.01  -0.02   0.03    -0.00   0.00  -0.00
     8   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.05  -0.07
    11   6    -0.01   0.01   0.00    -0.08   0.02   0.02    -0.00   0.00   0.00
    12   1     0.22  -0.13  -0.26    -0.00   0.00   0.00    -0.06   0.03   0.07
    13   1     0.32  -0.10   0.17    -0.00   0.00  -0.00    -0.04   0.01  -0.02
    14   1     0.23  -0.38   0.04    -0.01   0.01  -0.00    -0.03   0.05  -0.01
    15   1     0.50   0.10  -0.18    -0.01  -0.00   0.00    -0.14  -0.03   0.05
    16   1    -0.02  -0.04   0.23     0.04   0.07  -0.37    -0.00   0.00   0.00
    17   1     0.12  -0.20   0.04    -0.11   0.19  -0.04     0.00  -0.00   0.00
    18   1     0.08   0.06   0.08    -0.02  -0.01  -0.02    -0.01  -0.00  -0.01
    19   1     0.11   0.00   0.08     0.02   0.00   0.01     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.10  -0.04  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    22   1    -0.02  -0.07   0.13     0.00   0.01  -0.02    -0.12  -0.43   0.80
    23   1     0.01  -0.08  -0.02     0.00  -0.00  -0.00     0.03  -0.25  -0.06
    24   1     0.02   0.01   0.01    -0.00  -0.00  -0.00     0.14   0.07   0.11
    25   1     0.14  -0.01  -0.07     0.73  -0.05  -0.34     0.01  -0.00  -0.01
    26   1     0.03   0.02   0.03     0.15   0.09   0.17    -0.00  -0.00  -0.00
    27   1     0.01  -0.08  -0.01     0.04  -0.27  -0.05     0.00  -0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1242.481711522.918841641.96815
           X            0.99901  -0.04146   0.01640
           Y            0.04144   0.99914   0.00175
           Z           -0.01646  -0.00107   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06971     0.05687     0.05275
 Rotational constants (GHZ):           1.45253     1.18505     1.09913
 Zero-point vibrational energy     631546.6 (Joules/Mol)
                                  150.94325 (Kcal/Mol)
 Warning -- explicit consideration of  17 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    146.38   242.05   263.04   312.28   322.87
          (Kelvin)            347.11   376.82   417.03   431.87   552.77
                              568.13   597.18   684.58   753.93   807.08
                              828.25   888.87   937.72  1027.22  1085.94
                             1202.40  1241.23  1256.04  1332.11  1357.14
                             1363.39  1381.44  1389.85  1441.84  1484.34
                             1494.01  1518.13  1583.62  1609.68  1654.91
                             1687.11  1713.19  1751.95  1766.23  1794.35
                             1824.99  1833.66  1872.18  1910.95  1921.19
                             1941.26  2026.09  2032.99  2054.85  2096.89
                             2132.62  2137.13  2143.79  2151.27  2157.11
                             2170.80  2177.95  2191.40  2611.08  4364.37
                             4369.11  4373.73  4397.42  4407.30  4410.28
                             4437.58  4438.29  4443.51  4447.05  4458.19
                             4460.64  4462.53  4466.54  4477.46  4498.90
 
 Zero-point correction=                           0.240543 (Hartree/Particle)
 Thermal correction to Energy=                    0.251239
 Thermal correction to Enthalpy=                  0.252184
 Thermal correction to Gibbs Free Energy=         0.205823
 Sum of electronic and zero-point Energies=           -465.914461
 Sum of electronic and thermal Energies=              -465.903765
 Sum of electronic and thermal Enthalpies=            -465.902821
 Sum of electronic and thermal Free Energies=         -465.949181
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.655             43.632             97.574
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.520
 Vibrational            155.878             37.671             27.086
 Vibration     1          0.604              1.948              3.421
 Vibration     2          0.625              1.882              2.455
 Vibration     3          0.630              1.863              2.299
 Vibration     4          0.646              1.815              1.984
 Vibration     5          0.649              1.804              1.923
 Vibration     6          0.658              1.777              1.794
 Vibration     7          0.669              1.743              1.649
 Vibration     8          0.686              1.693              1.475
 Vibration     9          0.693              1.673              1.416
 Vibration    10          0.753              1.504              1.023
 Vibration    11          0.762              1.481              0.982
 Vibration    12          0.778              1.438              0.909
 Vibration    13          0.832              1.304              0.721
 Vibration    14          0.879              1.197              0.601
 Vibration    15          0.917              1.116              0.522
 Vibration    16          0.932              1.084              0.493
 Vibration    17          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.212911D-94        -94.671802       -217.989881
 Total V=0       0.934057D+16         15.970373         36.773144
 Vib (Bot)       0.457565-108       -108.339548       -249.461027
 Vib (Bot)    1  0.201649D+01          0.304597          0.701360
 Vib (Bot)    2  0.119856D+01          0.078660          0.181121
 Vib (Bot)    3  0.109754D+01          0.040422          0.093075
 Vib (Bot)    4  0.912464D+00         -0.039784         -0.091606
 Vib (Bot)    5  0.879800D+00         -0.055616         -0.128060
 Vib (Bot)    6  0.812300D+00         -0.090284         -0.207886
 Vib (Bot)    7  0.740920D+00         -0.130229         -0.299863
 Vib (Bot)    8  0.659827D+00         -0.180570         -0.415777
 Vib (Bot)    9  0.633508D+00         -0.198248         -0.456482
 Vib (Bot)   10  0.469219D+00         -0.328624         -0.756685
 Vib (Bot)   11  0.453069D+00         -0.343836         -0.791711
 Vib (Bot)   12  0.424639D+00         -0.371981         -0.856517
 Vib (Bot)   13  0.352763D+00         -0.452516         -1.041957
 Vib (Bot)   14  0.306900D+00         -0.513003         -1.181232
 Vib (Bot)   15  0.276816D+00         -0.557809         -1.284403
 Vib (Bot)   16  0.265855D+00         -0.575356         -1.324806
 Vib (Bot)   17  0.237264D+00         -0.624769         -1.438584
 Vib (V=0)       0.200737D+03          2.302628          5.301997
 Vib (V=0)    1  0.257756D+01          0.411208          0.946842
 Vib (V=0)    2  0.179867D+01          0.254952          0.587048
 Vib (V=0)    3  0.170607D+01          0.231997          0.534192
 Vib (V=0)    4  0.154048D+01          0.187655          0.432092
 Vib (V=0)    5  0.151195D+01          0.179538          0.413402
 Vib (V=0)    6  0.145385D+01          0.162520          0.374216
 Vib (V=0)    7  0.139385D+01          0.144215          0.332067
 Vib (V=0)    8  0.132787D+01          0.123156          0.283578
 Vib (V=0)    9  0.130705D+01          0.116293          0.267774
 Vib (V=0)   10  0.118569D+01          0.073970          0.170322
 Vib (V=0)   11  0.117474D+01          0.069941          0.161045
 Vib (V=0)   12  0.115599D+01          0.062953          0.144954
 Vib (V=0)   13  0.111192D+01          0.046072          0.106085
 Vib (V=0)   14  0.108668D+01          0.036100          0.083123
 Vib (V=0)   15  0.107151D+01          0.029997          0.069072
 Vib (V=0)   16  0.106628D+01          0.027873          0.064181
 Vib (V=0)   17  0.105344D+01          0.022609          0.052059
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.630974D+06          5.800011         13.355020
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000132137    0.000107781    0.000456449
      2        6          -0.000649984   -0.000237541    0.000399285
      3        6          -0.000179171    0.000461559   -0.000130274
      4        6          -0.000008395    0.000177804   -0.000082288
      5        6           0.000201059    0.000034308   -0.000115001
      6        6           0.005931799    0.002108491   -0.000114326
      7        6          -0.000539753   -0.000574327   -0.000419174
      8        6          -0.000060807   -0.000137907    0.000054552
      9        8          -0.004429783   -0.001370300    0.000136743
     10        6           0.000160185   -0.000032918   -0.000289414
     11        6           0.000094648   -0.000204672    0.000078501
     12        1          -0.000073908   -0.000140832    0.000231858
     13        1           0.000001774    0.000125068   -0.000033086
     14        1          -0.000094273   -0.000106842    0.000045895
     15        1          -0.000017152   -0.000187201    0.000024152
     16        1           0.000083731   -0.000100516    0.000046399
     17        1          -0.000005817    0.000051655   -0.000104016
     18        1          -0.000236958   -0.000152052   -0.000022289
     19        1           0.000066469    0.000009090   -0.000432010
     20        1           0.000260577   -0.000113771    0.000140010
     21        1          -0.000181838    0.000079095    0.000117253
     22        1          -0.000053924    0.000038512   -0.000008375
     23        1          -0.000083144   -0.000047106   -0.000000152
     24        1          -0.000205742    0.000071910    0.000104469
     25        1          -0.000000618    0.000041459    0.000137011
     26        1          -0.000096243    0.000113242   -0.000111928
     27        1          -0.000014869   -0.000013986   -0.000110244
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005931799 RMS     0.000889838
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.140830D+03  0.173309D+01 -0.676153D+00
      2   0.173309D+01  0.134146D+03  0.188989D+01
      3  -0.676153D+00  0.188989D+01  0.130408D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.155141D+00 -0.521586D+01  0.254286D+01
      2   0.257296D+01 -0.492246D+01  0.237369D+02
      3   0.561689D+01 -0.194654D+02  0.579622D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.227446D+02 -0.157830D+02  0.128849D+02
      2  -0.156977D+02  0.636713D+01 -0.763036D+01
      3  -0.704695D+01  0.941592D+01 -0.525449D+01
      4  -0.189210D+02  0.372404D+02 -0.170419D+02
      5   0.929930D+01 -0.171234D+02  0.483005D+02
      6  -0.891768D+01 -0.136297D+02 -0.368021D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.265705D+01  0.211702D+01  0.766510D+01  0.146644D+01  0.337016D+01
      2   0.211702D+01  0.394618D+01  0.507912D+00  0.337016D+01 -0.828046D+01
      3   0.766510D+01  0.507912D+00  0.393262D+01 -0.137385D-01 -0.219935D+01
                 6             7             8             9            10 
      1  -0.137385D-01  0.948674D+01  0.750486D+00  0.281138D+01 -0.656960D+01
      2  -0.219935D+01  0.750486D+00 -0.209765D+01  0.545969D+01 -0.275494D+01
      3   0.415264D+01  0.281138D+01  0.545969D+01 -0.140519D+01 -0.575551D+01
                11            12            13            14            15 
      1  -0.275494D+01 -0.575551D+01 -0.365897D+01  0.969775D+00  0.305888D+01
      2   0.112802D+01  0.277851D+01  0.969775D+00  0.871500D+00  0.402961D+01
      3   0.277851D+01 -0.954342D+00  0.305888D+01  0.402961D+01 -0.542258D+01
                16            17            18            19            20 
      1  -0.588279D+01  0.286815D+01 -0.300641D+01  0.324368D+01 -0.558696D+00
      2   0.286815D+01  0.305469D+01 -0.378390D+01 -0.558696D+00 -0.188199D+01
      3  -0.300641D+01 -0.378390D+01 -0.216099D+01  0.597386D+01 -0.362485D+01
                21            22            23            24            25 
      1   0.597386D+01  0.104182D+01 -0.319620D+00 -0.543647D+01  0.393375D+01
      2  -0.362485D+01 -0.319620D+00  0.620715D+00 -0.319715D+01 -0.326482D+01
      3  -0.115078D+01 -0.543647D+01 -0.319715D+01  0.330681D+01 -0.317319D+00
                26            27            28            29            30 
      1  -0.326482D+01 -0.317319D+00 -0.532189D+01 -0.334254D+01  0.330423D+01
      2  -0.432152D+01  0.204954D+01 -0.334254D+01  0.516460D+01  0.127407D+01
      3   0.204954D+01  0.377378D+01  0.330423D+01  0.127407D+01 -0.336274D+00
                31            32            33            34            35 
      1  -0.131556D+01  0.413322D+01  0.141333D+01  0.267096D+01  0.135684D+01
      2   0.413322D+01 -0.488391D+01  0.274174D+01  0.135684D+01  0.216657D+01
      3   0.141333D+01  0.274174D+01  0.255476D+01 -0.119756D+00  0.197169D+01
                36            37            38            39            40 
      1  -0.119756D+00  0.123913D+01 -0.176653D+01 -0.568137D+01  0.136493D+00
      2   0.197169D+01 -0.176653D+01 -0.436352D+01 -0.222333D+01 -0.599962D+01
      3  -0.352070D+01 -0.568137D+01 -0.222333D+01 -0.238499D+01 -0.252777D+01
                41            42            43            44            45 
      1  -0.599962D+01 -0.252777D+01 -0.455598D+01 -0.227511D+01 -0.259149D+01
      2   0.660261D+01 -0.211815D+01 -0.227511D+01 -0.215961D+00 -0.486828D+01
      3  -0.211815D+01 -0.364014D+01 -0.259149D+01 -0.486828D+01  0.259059D+01
                46            47            48            49            50 
      1   0.112611D+02  0.427512D+01  0.101140D+00  0.404222D+01 -0.131566D+01
      2   0.427512D+01 -0.464200D+01 -0.424636D+01 -0.131566D+01 -0.939857D+00
      3   0.101140D+00 -0.424636D+01 -0.236174D+01 -0.263716D+01 -0.126644D+01
                51            52            53            54            55 
      1  -0.263716D+01  0.217121D+00 -0.185721D+01  0.489783D+00 -0.195668D+01
      2  -0.126644D+01 -0.185721D+01 -0.770681D+00  0.655320D+00 -0.145850D+01
      3   0.328272D+00  0.489783D+00  0.655320D+00  0.230637D+01  0.182863D+01
                56            57            58            59            60 
      1  -0.145850D+01  0.182863D+01 -0.212353D+01  0.502568D+01  0.149214D+01
      2   0.640672D+01  0.185510D+01  0.502568D+01 -0.435334D+01  0.172396D+01
      3   0.185510D+01  0.191494D+01  0.149214D+01  0.172396D+01  0.259358D+01
                61            62            63            64            65 
      1   0.419473D+00 -0.619173D+00  0.154041D+01  0.211939D+01  0.285077D+01
      2  -0.619173D+00  0.223027D+01  0.824968D+00  0.285077D+01 -0.251048D+00
      3   0.154041D+01  0.824968D+00 -0.783785D+01  0.662208D+01 -0.168142D+01
                66            67            68            69            70 
      1   0.662208D+01  0.201570D+01 -0.939336D+00 -0.185142D+01  0.552812D+01
      2  -0.168142D+01 -0.939336D+00  0.119055D+00 -0.400925D+01 -0.198914D+01
      3   0.133038D+01 -0.185142D+01 -0.400925D+01  0.350044D+01  0.126771D+01
                71            72            73            74            75 
      1  -0.198914D+01  0.126771D+01 -0.208265D+02 -0.408877D+01  0.151494D+01
      2  -0.410338D+01  0.432255D+01 -0.408877D+01 -0.138481D+01  0.142274D+01
      3   0.432255D+01  0.106619D+01  0.151494D+01  0.142274D+01 -0.137208D+01
                76            77            78            79            80 
      1  -0.460946D+01 -0.439981D+01  0.824644D+00  0.447772D+00  0.262589D+00
      2  -0.439981D+01 -0.268388D+01  0.913073D+00  0.262589D+00  0.199531D+00
      3   0.824644D+00  0.913073D+00 -0.482378D+00 -0.386055D+01 -0.112774D+01
                81            82            83            84            85 
      1  -0.386055D+01 -0.183224D+01 -0.239223D+01 -0.582839D+01 -0.316795D+01
      2  -0.112774D+01 -0.239223D+01 -0.203468D+01 -0.437879D+00 -0.321843D+01
      3  -0.119263D+00 -0.582839D+01 -0.437879D+00 -0.261077D+01 -0.544564D+00
                86            87            88            89            90 
      1  -0.321843D+01 -0.544564D+00 -0.692973D+01 -0.544571D+00 -0.343984D+01
      2   0.779811D+01  0.252940D+01 -0.544571D+00  0.236430D+01 -0.377491D+01
      3   0.252940D+01 -0.393324D+01 -0.343984D+01 -0.377491D+01  0.343131D+01
                91            92            93            94            95 
      1   0.271045D+01 -0.748996D+00 -0.681011D+01 -0.121042D+01 -0.254450D+01
      2  -0.748996D+00 -0.224142D+01 -0.950712D+00 -0.254450D+01  0.795571D+01
      3  -0.681011D+01 -0.950712D+00 -0.233235D+01 -0.118465D+01  0.148154D+01
                96            97            98            99           100 
      1  -0.118465D+01 -0.620815D+01 -0.119663D+01 -0.239485D+01  0.314051D+01
      2   0.148154D+01 -0.119663D+01  0.261585D+01 -0.368850D+01 -0.491059D+00
      3  -0.434772D+01 -0.239485D+01 -0.368850D+01 -0.786905D+00 -0.316428D+01
               101           102           103           104           105 
      1  -0.491059D+00 -0.316428D+01 -0.138702D+01  0.893389D+00  0.189854D+01
      2   0.155876D+01  0.100231D+01  0.893389D+00 -0.146128D+01 -0.119613D+01
      3   0.100231D+01  0.438351D+01  0.189854D+01 -0.119613D+01 -0.346083D+01
               106           107           108           109           110 
      1  -0.246514D+01  0.683289D+00  0.287459D+01 -0.593701D+01  0.128066D+01
      2   0.683289D+00 -0.106890D+01 -0.140342D+01  0.128066D+01 -0.174343D+01
      3   0.287459D+01 -0.140342D+01 -0.828377D+01 -0.458837D+01  0.167506D+01
               111           112           113           114           115 
      1  -0.458837D+01  0.107737D+01 -0.116522D+01  0.116782D+01 -0.262569D+01
      2   0.167506D+01 -0.116522D+01  0.121643D+01 -0.107221D+01  0.100146D+01
      3  -0.471645D+01  0.116782D+01 -0.107221D+01  0.102995D+01 -0.263703D+01
               116           117           118           119           120 
      1   0.100146D+01 -0.263703D+01 -0.126031D+01  0.262722D+01 -0.834651D+00
      2  -0.694009D+00  0.853557D+00  0.262722D+01 -0.493751D+01  0.860123D+00
      3   0.853557D+00 -0.484564D+01 -0.834651D+00  0.860123D+00 -0.109329D+01
               121           122           123           124           125 
      1   0.191152D+01 -0.252770D+01  0.323359D+00 -0.453713D+00 -0.897648D-02
      2  -0.252770D+01  0.111197D+02 -0.214472D+01 -0.897648D-02 -0.103454D+01
      3   0.323359D+00 -0.214472D+01  0.156356D+01 -0.504380D+00  0.125688D+01
               126           127           128           129           130 
      1  -0.504380D+00  0.866008D+01  0.353270D+01 -0.284669D+01  0.190910D+01
      2   0.125688D+01  0.353270D+01  0.298179D+01 -0.150560D+01  0.172343D+01
      3  -0.388277D+00 -0.284669D+01 -0.150560D+01  0.257393D+01 -0.895142D+00
               131           132           133           134           135 
      1   0.172343D+01 -0.895142D+00 -0.246912D+01 -0.114916D+01  0.196312D+01
      2   0.231967D+01 -0.105781D+01 -0.114916D+01 -0.129864D+01  0.811004D+00
      3  -0.105781D+01  0.470248D+00  0.196312D+01  0.811004D+00 -0.160767D+01
               136           137           138           139           140 
      1  -0.943343D-01  0.177543D+00  0.152757D+01 -0.422110D+00 -0.534708D+00
      2   0.177543D+00 -0.854347D+00 -0.527359D+00 -0.534708D+00  0.404464D+00
      3   0.152757D+01 -0.527359D+00 -0.172829D+01  0.219815D+00  0.103113D+01
               141           142           143           144           145 
      1   0.219815D+00  0.211285D+01 -0.143021D+00 -0.179199D+01 -0.346645D+01
      2   0.103113D+01 -0.143021D+00  0.178735D+01  0.122674D+01  0.339180D+01
      3  -0.127431D+01 -0.179199D+01  0.122674D+01  0.118766D+02  0.229897D+00
               146           147           148           149           150 
      1   0.339180D+01  0.229897D+00  0.360511D+01 -0.391571D+01 -0.575641D+00
      2  -0.473610D+01 -0.945487D+00 -0.391571D+01  0.941786D+01  0.521007D+00
      3  -0.945487D+00 -0.105164D+01 -0.575641D+00  0.521007D+00  0.126632D+01
               151           152           153           154           155 
      1  -0.108253D+01  0.784454D+00 -0.516606D+00  0.504110D+01  0.324988D+01
      2   0.784454D+00 -0.152154D+01  0.115799D+01  0.324988D+01  0.347855D+01
      3  -0.516606D+00  0.115799D+01  0.825725D+00  0.351613D+01  0.201530D+01
               156           157           158           159           160 
      1   0.351613D+01  0.199843D+01  0.290385D+01  0.129079D+01  0.329822D+01
      2   0.201530D+01  0.290385D+01  0.375400D+01  0.245711D+01  0.193992D+01
      3   0.319463D+01  0.129079D+01  0.245711D+01  0.249823D+01  0.306952D+01
               161           162           163           164           165 
      1   0.193992D+01  0.306952D+01 -0.637217D+01 -0.215545D+01 -0.427546D+01
      2   0.275038D+01  0.326954D+01 -0.215545D+01 -0.257671D+01 -0.141797D+01
      3   0.326954D+01  0.459603D+01 -0.427546D+01 -0.141797D+01 -0.401532D+01
               166           167           168           169           170 
      1  -0.628698D+00 -0.109295D+01 -0.205220D+00 -0.381546D+01 -0.912686D+00
      2  -0.109295D+01 -0.378663D+00 -0.414534D+00 -0.912686D+00 -0.996535D+00
      3  -0.205220D+00 -0.414534D+00 -0.450051D+00 -0.312039D+01 -0.185079D+01
               171           172           173           174           175 
      1  -0.312039D+01 -0.879116D+00 -0.139269D+01  0.149791D-02 -0.116528D+01
      2  -0.185079D+01 -0.139269D+01 -0.118556D+01  0.600149D+00 -0.100646D+01
      3  -0.421811D+01  0.149791D-02  0.600149D+00 -0.543451D+00  0.476086D+00
               176           177           178           179           180 
      1  -0.100646D+01  0.476086D+00  0.786265D+00  0.105393D+01 -0.446226D+00
      2  -0.695010D+01  0.286739D+01  0.105393D+01  0.546725D+01 -0.268783D+01
      3   0.286739D+01 -0.232956D+01 -0.446226D+00 -0.268783D+01  0.362992D+01
               181           182           183           184           185 
      1   0.404473D+01 -0.207074D+01 -0.287659D+01 -0.135557D+01  0.173598D+01
      2  -0.207074D+01  0.334545D+01  0.207863D+01  0.173598D+01 -0.227950D+01
      3  -0.287659D+01  0.207863D+01  0.304837D+01  0.119134D+01 -0.110360D+01
               186           187           188           189           190 
      1   0.119134D+01 -0.272644D+01  0.139164D+01  0.194194D+01  0.106798D+01
      2  -0.110360D+01  0.139164D+01 -0.196793D+01 -0.258885D+01  0.103728D+01
      3  -0.159308D+01  0.194194D+01 -0.258885D+01 -0.401703D+01 -0.112985D+01
               191           192           193           194           195 
      1   0.103728D+01 -0.112985D+01  0.209327D+01  0.533826D+00 -0.623313D+00
      2   0.381652D+00 -0.322990D+00  0.533826D+00  0.116752D+01 -0.178932D+01
      3  -0.322990D+00  0.163531D+01 -0.623313D+00 -0.178932D+01  0.256078D+01
               196           197           198           199           200 
      1  -0.255967D+01 -0.207658D+00  0.248379D+01  0.138769D+01 -0.144957D+01
      2  -0.207658D+00 -0.218068D+01  0.215038D+01 -0.144957D+01  0.146785D+01
      3   0.248379D+01  0.215038D+01 -0.668908D+01  0.106427D+00  0.314650D+00
               201           202           203           204           205 
      1   0.106427D+00 -0.344032D+01  0.354668D+01  0.730998D+00  0.168262D+00
      2   0.314650D+00  0.354668D+01 -0.970733D+01 -0.160658D+01  0.477933D+00
      3   0.439619D+00  0.730998D+00 -0.160658D+01 -0.139654D+01  0.913716D+00
               206           207           208           209           210 
      1   0.477933D+00  0.913716D+00  0.900260D+01  0.122284D+01  0.342226D+01
      2  -0.134910D+01 -0.100483D+01  0.122284D+01  0.133072D+01  0.386495D+00
      3  -0.100483D+01 -0.970037D+00  0.342226D+01  0.386495D+00  0.229921D+01
               211           212           213           214           215 
      1   0.312160D+01  0.180384D+01  0.943517D+00  0.653459D+01  0.522185D+00
      2   0.180384D+01  0.220768D+00  0.484394D+00  0.522185D+00  0.961223D+00
      3   0.943517D+00  0.484394D+00  0.126190D+01  0.326211D+01  0.854987D+00
               216           217           218           219           220 
      1   0.326211D+01 -0.620196D+01  0.163471D-01  0.303352D+01  0.254709D+00
      2   0.854987D+00  0.163471D-01 -0.165362D+01  0.117017D+01 -0.844222D+00
      3   0.279652D+01  0.303352D+01  0.117017D+01 -0.372381D+01  0.437944D+00
               221           222           223           224           225 
      1  -0.844222D+00  0.437944D+00  0.262005D+01  0.465666D+00 -0.203573D+01
      2  -0.673029D+00  0.321791D+00  0.465666D+00  0.427517D+00 -0.125459D+00
      3   0.321791D+00  0.369482D+00 -0.203573D+01 -0.125459D+00  0.337928D+01
               226           227           228           229           230 
      1   0.444844D+01  0.321425D+00  0.422755D+01  0.155666D+01  0.108561D+01
      2   0.321425D+00  0.144889D+01  0.113454D+00  0.108561D+01  0.138215D+00
      3   0.422755D+01  0.113454D+00  0.499551D+01  0.127406D+01  0.803260D+00
               231           232           233           234           235 
      1   0.127406D+01  0.340882D+01  0.291429D+00  0.383506D+01  0.694332D+00
      2   0.803260D+00  0.291429D+00  0.726334D+00  0.652027D+00 -0.142989D+01
      3   0.265371D+01  0.383506D+01  0.652027D+00  0.698423D+01  0.716441D+00
               236           237           238           239           240 
      1  -0.142989D+01  0.716441D+00 -0.174555D+01  0.209852D+01 -0.248175D+00
      2   0.184758D+01 -0.170704D+00  0.209852D+01 -0.111350D+02  0.126982D+01
      3  -0.170704D+00  0.627543D+00 -0.248175D+00  0.126982D+01 -0.178024D+01
               241           242           243 
      1   0.141442D+00  0.318207D+00  0.329424D+00
      2   0.318207D+00 -0.113020D+01 -0.612345D+00
      3   0.329424D+00 -0.612345D+00 -0.406061D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.191316D+01  0.130230D+01  0.215870D+01  0.321141D+01 -0.733556D+01
      2   0.120341D+02 -0.273375D+00  0.436760D+01  0.231125D+01 -0.540894D+01
      3   0.134009D+01 -0.824929D+01 -0.260442D+01  0.599584D+00  0.923235D+01
                 6             7             8             9            10 
      1  -0.421194D+01  0.561903D+01  0.451297D+01  0.209597D+01 -0.515454D+01
      2   0.368812D+01 -0.323076D+01  0.412091D+01 -0.335105D+01 -0.342385D+01
      3   0.341705D+01 -0.298562D+01  0.380991D+01 -0.439377D+01 -0.257031D+01
                11            12            13            14            15 
      1  -0.312835D+01  0.128430D+01  0.184668D+01  0.509284D+01 -0.141343D+02
      2  -0.389881D+01  0.213236D+01 -0.443256D+01 -0.290220D+00  0.170233D+01
      3  -0.359615D+01  0.483027D+01  0.882761D+01  0.482520D+00  0.139243D+01
                16            17            18            19            20 
      1  -0.754779D+01 -0.438456D-02 -0.240886D+01  0.557017D+01  0.512972D+01
      2  -0.776998D+01  0.474107D+01 -0.701396D+01  0.649747D+01 -0.154697D+01
      3   0.440741D+01  0.328320D+01  0.166493D+00 -0.431417D+00 -0.524877D+01
                21            22            23            24            25 
      1   0.521642D+01 -0.123103D+01  0.231551D+01  0.715180D+01  0.599971D+01
      2   0.138952D+02 -0.885235D+00 -0.966335D+00 -0.986777D+01  0.486305D+01
      3   0.648596D+00  0.423299D+00 -0.253455D+00 -0.191989D+01  0.123733D+01
                26            27            28            29            30 
      1   0.122044D+02 -0.136266D+01 -0.632760D+01 -0.782931D+01 -0.136782D+01
      2  -0.925083D+01  0.114170D+01 -0.241100D+01 -0.225207D+01  0.608769D+01
      3  -0.220416D+01  0.489863D+00 -0.105272D+02 -0.152666D+02  0.726619D+01
                31            32            33            34            35 
      1  -0.711822D+01 -0.309377D+01 -0.131077D+02 -0.370947D+00 -0.622400D+01
      2  -0.495813D+00  0.600137D+01  0.382277D+01  0.636875D+00  0.276582D+01
      3  -0.435754D+01  0.149121D+02  0.664342D+00  0.655560D+01  0.196730D+01
                36            37            38            39            40 
      1   0.781854D+01  0.489316D+01  0.113964D+01  0.659164D+00  0.318265D+00
      2  -0.517988D+01 -0.714554D+01 -0.129411D+01  0.513498D+01 -0.166947D+01
      3  -0.196854D+01  0.625703D+01 -0.313078D+01 -0.500772D+01  0.713494D+01
                41            42            43            44            45 
      1   0.682313D+01  0.158416D+01 -0.819020D+00  0.100111D+02 -0.931278D+01
      2   0.227509D+01 -0.157419D+01 -0.311277D+01 -0.121594D+01  0.384011D+01
      3  -0.121126D+02 -0.184140D+01 -0.403467D+01 -0.231087D+01 -0.236260D+00
                46            47            48            49            50 
      1   0.381430D+01  0.171256D+01  0.534312D+01  0.420577D+01 -0.148836D+02
      2  -0.347115D+01  0.837578D+01 -0.437911D+01  0.705801D+01 -0.360236D+01
      3   0.139490D+00  0.310485D+01 -0.795620D+01  0.648074D+01  0.297327D+01
                51            52            53            54            55 
      1  -0.755535D+00  0.230502D+01  0.110096D+02  0.155062D+02 -0.621993D+01
      2  -0.856298D+00 -0.120405D+02  0.857935D+00  0.627501D+01  0.309920D+01
      3  -0.290105D+01 -0.826058D+01 -0.323428D+01  0.539672D+00 -0.622127D+01
                56            57            58            59            60 
      1   0.745256D+01 -0.252148D+01  0.583545D+01 -0.711456D+01 -0.782837D+01
      2   0.111491D+01 -0.458946D+01  0.112497D+01 -0.792178D+01 -0.254136D+01
      3   0.412366D+01  0.633456D+01  0.775358D+01  0.164260D+01  0.129656D+01
                61            62            63            64            65 
      1  -0.650650D+00  0.638492D+01  0.147620D+02  0.847821D+01 -0.187601D+01
      2  -0.949420D+01  0.514880D+00  0.943350D+01 -0.244871D+01  0.560759D+01
      3   0.429041D+01 -0.530202D+00  0.309909D+01 -0.239110D+01 -0.109790D+02
                66            67            68            69            70 
      1   0.468437D+01 -0.338629D+01 -0.899091D+01  0.101425D+02  0.393520D+01
      2   0.956558D+01  0.332816D+01  0.239517D+01 -0.476708D+01  0.327143D+01
      3  -0.157037D+02 -0.250581D+01  0.195988D+01  0.957221D+00 -0.129097D+02
                71            72            73            74            75 
      1   0.186602D+02 -0.306009D+01 -0.486750D-01 -0.443476D+00 -0.595132D+01
      2  -0.663861D+01  0.932363D+00  0.354926D+01  0.668326D+00  0.167091D+02
      3  -0.194277D+00 -0.565562D-01 -0.375298D+01 -0.178116D+02  0.281972D-01
                76            77            78            79            80 
      1  -0.300427D+01  0.305871D+01 -0.229547D+01  0.101420D+01 -0.114072D+01
      2  -0.193458D+01  0.313045D+01  0.419823D+01  0.496503D+01  0.654070D+00
      3  -0.348509D+01 -0.894020D+01  0.276428D+00  0.726447D+00  0.100346D+01
                81            82            83            84            85 
      1  -0.577427D+01 -0.308973D+01  0.629002D-01 -0.220096D+01 -0.279128D+00
      2  -0.193700D+01 -0.145770D+02 -0.911208D+00 -0.624308D+01 -0.231513D+01
      3  -0.308755D+01  0.683598D+01  0.506985D+01  0.399112D+01  0.149416D+02
                86            87            88            89            90 
      1   0.107830D+01 -0.560396D+01 -0.512321D+01 -0.556953D+00  0.374050D+01
      2   0.725053D+01 -0.101715D+02 -0.159233D+02 -0.896606D+01  0.109182D+02
      3  -0.190468D+02 -0.764157D+01  0.556130D+01 -0.708079D+01  0.121804D+02
                91            92            93            94            95 
      1  -0.106674D+02 -0.523407D+01 -0.439920D+01 -0.734942D+01  0.197704D+02
      2  -0.135932D+02 -0.697676D+00  0.159131D+02 -0.893834D-01  0.599847D+01
      3  -0.388861D+01  0.622085D-01  0.109301D+02  0.559674D+01 -0.529007D+01
                96            97            98            99           100 
      1  -0.654709D+01 -0.475469D+01  0.321892D+01 -0.105054D+02  0.534448D+00
      2  -0.164433D+01  0.779367D+01 -0.217325D+01  0.345862D+01  0.777905D+01
      3   0.331617D-01  0.880491D+01 -0.180667D+01  0.610661D+01  0.130312D+01
               101           102           103           104           105 
      1  -0.555023D+01 -0.263682D+01 -0.493774D+00  0.458731D+01 -0.278010D+00
      2  -0.175341D+01 -0.392677D+01 -0.316461D+01  0.167870D+01  0.213729D+01
      3  -0.162544D+01 -0.112716D+01  0.781724D+00  0.376585D+00  0.349967D+00
               106           107           108           109           110 
      1  -0.208751D+01  0.590849D+01  0.385774D+01 -0.424373D+00  0.441337D+01
      2  -0.699934D+01  0.174925D+01  0.403489D+01 -0.132765D+02  0.181588D+01
      3  -0.436856D+00  0.161991D+01  0.798081D+00 -0.380982D+01 -0.206118D+01
               111           112           113           114           115 
      1  -0.347505D+00  0.132363D+01 -0.203811D+01 -0.386724D+00  0.135309D+00
      2  -0.527690D+01  0.281854D+01 -0.199668D+01  0.225141D+01 -0.648292D+01
      3  -0.206782D+01  0.178152D+01  0.212573D+00  0.661818D+00 -0.190602D+01
               116           117           118           119           120 
      1   0.205249D+01  0.541594D+00 -0.372331D+00  0.364843D+01  0.340338D+01
      2   0.183167D+01 -0.425159D+01 -0.237069D+01  0.275000D+01 -0.979071D-02
      3  -0.538951D+00 -0.172404D+01 -0.592566D+01  0.757064D+01 -0.214557D+01
               121           122           123           124           125 
      1   0.226532D+01 -0.644243D+01 -0.512783D+01  0.112310D+01  0.757449D-01
      2   0.255728D+01 -0.411953D+01  0.575456D+00 -0.172589D+01  0.113739D+01
      3   0.917359D+01 -0.122157D+02  0.172621D+01 -0.117788D+01  0.751655D+00
               126           127           128           129           130 
      1  -0.826467D+00  0.330894D+01 -0.108777D+01 -0.553762D+01  0.242290D+00
      2  -0.207972D+00  0.753396D+01  0.174458D+01  0.204323D+01  0.103216D+01
      3  -0.218066D+01  0.177797D+02  0.166417D+01 -0.455078D+01  0.337589D+01
               131           132           133           134           135 
      1   0.691144D+00 -0.963723D+00 -0.323757D+01  0.161032D+01  0.211051D+01
      2   0.734266D+00  0.184431D+00 -0.245271D+01 -0.569198D+00 -0.213907D+00
      3   0.128310D+01 -0.122047D+01 -0.487419D+01 -0.854277D+00  0.369835D+01
               136           137           138           139           140 
      1  -0.155292D+01  0.369542D+00  0.304773D+01  0.387572D+00 -0.164004D+01
      2  -0.146624D+01  0.683696D+00  0.150191D+01  0.704592D+00 -0.155859D+00
      3   0.408110D+00 -0.244762D+01  0.916258D+00 -0.113317D+00 -0.156850D+01
               141           142           143           144           145 
      1   0.450021D+01  0.303352D+01  0.175151D+01 -0.207702D+02  0.394166D+01
      2   0.254685D+01 -0.353929D+01 -0.140866D+01 -0.118582D+02  0.398239D+01
      3   0.117883D+01  0.294066D+01  0.231642D+01 -0.284843D+01 -0.153165D+01
               146           147           148           149           150 
      1  -0.782876D+01  0.173535D+00 -0.492916D+01  0.132566D+02 -0.276862D+01
      2  -0.410577D+01  0.263553D+01 -0.449458D+01  0.638486D+01 -0.125342D+01
      3  -0.249014D+01 -0.101968D+01  0.449057D+01  0.532560D+01 -0.448073D+00
               151           152           153           154           155 
      1   0.143652D+01 -0.391174D+01  0.584002D+00 -0.246068D+01  0.132443D+01
      2   0.112808D+01 -0.217956D+01  0.662333D+00 -0.219340D+01 -0.701158D+00
      3  -0.144957D+01 -0.132344D+01  0.362035D+00  0.608810D+01 -0.432894D+00
               156           157           158           159           160 
      1  -0.413725D+01 -0.481503D+00 -0.199022D+00 -0.447890D+01 -0.229812D+01
      2   0.199645D+01 -0.168694D+01 -0.284947D+00  0.159252D+01 -0.224916D+01
      3   0.344274D+01  0.340510D+01  0.799332D+00  0.589700D+00  0.446327D+01
               161           162           163           164           165 
      1   0.210342D+00 -0.478329D+01 -0.527525D+01  0.178455D+01 -0.683137D+01
      2   0.128339D+01  0.252936D+01 -0.655439D+01 -0.114387D+01  0.218551D+00
      3  -0.710279D+00  0.169764D+01  0.131448D+02 -0.363596D+00  0.772035D+01
               166           167           168           169           170 
      1   0.186601D+00 -0.220957D+00 -0.162069D+01 -0.527359D+01 -0.197167D+00
      2  -0.594225D+00 -0.116397D+01  0.228633D-01 -0.433760D+01 -0.517850D-01
      3   0.161467D+01  0.177724D+01  0.694340D+00  0.794986D+01  0.348748D+00
               171           172           173           174           175 
      1  -0.605084D+01  0.158118D+01  0.245724D+01 -0.151839D+01  0.242046D+01
      2  -0.143621D+00 -0.662125D+00 -0.198022D+01  0.131080D+01 -0.711425D+00
      3   0.554847D+01  0.103645D+01  0.103023D+01 -0.660690D-03  0.431488D+01
               176           177           178           179           180 
      1   0.134408D+02 -0.117207D+02 -0.133071D+01 -0.106999D+02  0.135247D+02
      2  -0.321072D+01  0.251048D+01 -0.443180D+00  0.314087D+01 -0.387951D+01
      3  -0.240431D+01  0.820307D+00 -0.282840D+01  0.172115D+01 -0.123358D+01
               181           182           183           184           185 
      1  -0.322660D+01 -0.185390D+01  0.454689D+01  0.421435D+00  0.578227D+00
      2   0.859207D+01 -0.344691D+01 -0.330217D+01 -0.258401D+01  0.240114D+01
      3  -0.117442D+02  0.373373D+01  0.675511D+01  0.507073D+01 -0.369033D+01
               186           187           188           189           190 
      1  -0.336391D+01  0.220471D+01 -0.494394D+00 -0.469740D+01 -0.113721D+01
      2   0.165679D+01 -0.613345D+01  0.289589D+01  0.350525D+01 -0.237685D+01
      3  -0.286769D+01  0.711708D+01 -0.256781D+01 -0.515987D+01 -0.277824D+01
               191           192           193           194           195 
      1  -0.637537D+00  0.708767D+00 -0.740637D-01 -0.274193D+01  0.157651D+01
      2  -0.306475D+00  0.404413D+01  0.486293D+00 -0.529279D+01  0.801825D+01
      3  -0.204103D+01  0.158036D+01 -0.404451D+00 -0.515909D+01  0.581399D+01
               196           197           198           199           200 
      1   0.104064D+01  0.518417D+01 -0.441330D+01  0.399426D+00 -0.581813D+00
      2   0.132862D+01  0.703861D+01 -0.189559D+02  0.353378D+00  0.321175D+00
      3   0.759008D+00  0.762807D+01 -0.761391D+01  0.303794D+01 -0.393066D+01
               201           202           203           204           205 
      1   0.576016D+00  0.530561D-01  0.159398D+01 -0.389112D+01  0.430051D+00
      2   0.193586D+01  0.867903D+00 -0.409772D+01 -0.478616D+01  0.102520D+01
      3  -0.780367D+00 -0.272512D+01  0.244560D+02  0.390807D+01 -0.869273D+00
               206           207           208           209           210 
      1   0.754305D+00 -0.848004D+00  0.219297D+01  0.108090D+01  0.108431D+01
      2  -0.220173D+01 -0.261008D+01  0.940971D+01  0.181253D+01  0.983349D+01
      3   0.398716D+01  0.197495D+01 -0.793597D+01 -0.688059D+01 -0.330992D+01
               211           212           213           214           215 
      1   0.894758D+00  0.794900D+00 -0.303953D+00  0.249263D+01  0.193682D+01
      2   0.253034D+01  0.125238D+01  0.421656D+01  0.672712D+01  0.240715D+01
      3  -0.455257D+01 -0.215024D+01 -0.155513D+01 -0.472092D+01 -0.428125D+01
               216           217           218           219           220 
      1   0.106110D+01  0.514255D+01 -0.394593D+01 -0.264206D+01 -0.197026D+01
      2   0.896593D+01  0.184984D+02 -0.573556D+00 -0.621556D+01 -0.743147D+00
      3  -0.410158D+01  0.975233D+01 -0.201872D+01 -0.421825D+01  0.662886D+00
               221           222           223           224           225 
      1  -0.745721D-02  0.177058D+00 -0.227384D+01  0.211559D+01  0.344102D+01
      2   0.239713D+01 -0.412134D+00 -0.904930D+01 -0.582854D+00  0.532004D+01
      3   0.152219D+01 -0.833756D+00 -0.401790D+01  0.235504D+00  0.259798D+01
               226           227           228           229           230 
      1   0.590622D+01  0.478405D+01  0.607219D+01  0.338140D+01  0.195488D+01
      2  -0.568233D+01 -0.111930D+01 -0.791344D+00 -0.241965D+01 -0.102423D+01
      3  -0.478925D+01 -0.384701D+01 -0.454101D+01 -0.165624D+01 -0.166539D+01
               231           232           233           234           235 
      1   0.338229D+01  0.515345D+01  0.490840D+01  0.934904D+01 -0.171917D+01
      2   0.702121D+00 -0.651497D+01  0.186308D-01  0.428415D-01 -0.147739D-01
      3  -0.201311D+01 -0.440034D+01 -0.226806D+01 -0.503333D+01  0.305663D+00
               236           237           238           239           240 
      1   0.333497D+01  0.113292D+01  0.366181D+01 -0.212745D+02 -0.433207D+01
      2   0.205643D+01  0.614655D+00  0.340128D+01 -0.236347D+01 -0.195219D+01
      3  -0.101323D+01 -0.356801D+00  0.378454D+01  0.841169D+01 -0.878862D+00
               241           242           243 
      1   0.713436D+00 -0.220592D+01 -0.263322D+01
      2  -0.653809D+00 -0.789210D+00 -0.111697D+01
      3   0.586237D-01  0.123284D+01  0.378461D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127281D+02  0.428389D+01  0.166572D+02  0.559619D+01  0.978341D+01
      2  -0.671510D+00 -0.290290D+01 -0.107454D+02 -0.457969D+01 -0.238943D+01
      3   0.133996D+02 -0.138100D+01 -0.591180D+01 -0.101650D+01 -0.739399D+01
      4  -0.686130D+00  0.474720D+01 -0.623063D+01  0.685750D+01 -0.152592D+02
      5   0.144889D+02 -0.130131D+01  0.885779D+01  0.946781D+00  0.493907D+00
      6  -0.932929D+01  0.280190D+01 -0.171648D+01  0.364450D+01 -0.646260D+01
                 6             7             8             9            10 
      1  -0.501680D+01  0.207064D+02 -0.312550D+01  0.113392D+02  0.196238D+01
      2  -0.423820D+01 -0.110442D+02 -0.188766D+01 -0.547284D+01 -0.128148D+01
      3   0.925501D+01 -0.966218D+01  0.501315D+01 -0.586634D+01 -0.680900D+00
      4  -0.719711D+00 -0.556690D+01 -0.523710D+00  0.230262D+01  0.748477D+01
      5   0.723896D+01  0.112222D+02  0.627555D+01 -0.269291D+01 -0.315341D+01
      6  -0.455841D+01 -0.210169D+01 -0.537128D+01  0.303585D+01  0.890438D+01
                11            12            13            14            15 
      1   0.605027D+01  0.121735D+01  0.102650D+02 -0.103300D+01 -0.165768D+02
      2  -0.227727D+01  0.523928D+01 -0.238565D-01  0.923090D+01 -0.358697D+01
      3  -0.377300D+01 -0.645662D+01 -0.102412D+02 -0.819790D+01  0.201638D+02
      4   0.415387D+01  0.414210D+01  0.131143D+00  0.227957D+01 -0.154970D+01
      5  -0.209085D+01  0.520205D+01 -0.304761D+01 -0.239506D+01 -0.449592D+01
      6  -0.182094D+01  0.772802D+00 -0.474170D+00  0.396368D+01 -0.472869D+01
                16            17            18            19            20 
      1  -0.179363D+02 -0.855537D+01 -0.187076D+01  0.842492D+01 -0.372432D+01
      2   0.666400D+01 -0.396975D+01  0.594427D+00  0.151965D+02 -0.131943D+02
      3   0.112723D+02  0.125251D+02  0.127634D+01 -0.236214D+02  0.169186D+02
      4   0.785964D+01 -0.534756D+01  0.318057D+01  0.534409D+01 -0.368750D+01
      5   0.246292D+01 -0.213573D+00 -0.307499D+00 -0.118012D+02  0.372806D+01
      6   0.295988D-01  0.857888D+00  0.128909D+02  0.546073D+01 -0.106182D+01
                21            22            23            24            25 
      1  -0.109336D+02 -0.147936D+02 -0.749370D+01  0.175389D+02 -0.211924D+01
      2  -0.595347D+01 -0.884150D+01 -0.729419D+01  0.105393D+01 -0.742461D+01
      3   0.168870D+02  0.236351D+02  0.147879D+02 -0.185928D+02  0.954385D+01
      4   0.396497D+01 -0.306231D+01 -0.389684D+01 -0.251071D+01  0.185256D+01
      5  -0.260831D+02  0.685406D+01  0.333337D+01  0.137084D+02 -0.183428D+02
      6   0.124395D+02 -0.358162D+01 -0.507829D+01  0.791108D+01  0.948527D+01
                26            27            28            29            30 
      1   0.794556D+01  0.479254D+01 -0.633601D+01 -0.188552D+02  0.722620D+01
      2   0.124890D+01  0.155745D+02 -0.787520D+01  0.300004D+02  0.127157D+01
      3  -0.919446D+01 -0.203671D+02  0.142112D+02 -0.111452D+02 -0.849777D+01
      4  -0.210308D+01  0.466979D+01 -0.228093D+02 -0.148791D+02  0.152354D+02
      5   0.973984D+01  0.406399D+01  0.147922D+02  0.968949D+01 -0.369083D+01
      6   0.517374D+01 -0.544694D+01  0.186038D+02 -0.140962D+01 -0.623723D+01
                31            32            33            34            35 
      1  -0.123485D+02  0.196713D+02 -0.352000D+00  0.636704D+01  0.133248D+01
      2   0.212222D+02 -0.287473D+02  0.110164D+02  0.644318D+00  0.917395D+01
      3  -0.887374D+01  0.907602D+01 -0.106644D+02 -0.701136D+01 -0.105064D+02
      4  -0.488646D+01  0.147242D+02  0.247556D+01  0.131553D+02  0.415820D+01
      5   0.386776D+01 -0.413752D+01  0.198046D+00 -0.524023D+01  0.579110D+00
      6  -0.183338D+01  0.114389D+02  0.167605D+01 -0.408983D+01  0.286198D+01
                36            37            38            39            40 
      1  -0.925028D+01  0.724791D+00  0.489482D+01 -0.393200D+00  0.325520D+01
      2   0.743773D+01  0.198969D+01 -0.111841D+02 -0.408949D+01 -0.709478D+01
      3   0.181255D+01 -0.271448D+01  0.628932D+01  0.448269D+01  0.383958D+01
      4   0.331714D+01  0.112185D+01 -0.933500D+01 -0.142348D+02 -0.848121D+01
      5  -0.182033D+01 -0.669761D+01 -0.104124D+02 -0.120105D+02 -0.573955D+01
      6  -0.115513D+02 -0.158286D+02 -0.136557D+02 -0.477829D+01 -0.100195D+02
                41            42            43            44            45 
      1  -0.100776D+02  0.300152D-01 -0.370804D+01 -0.122288D+01  0.335304D+01
      2   0.136784D+02 -0.983095D+00  0.443611D+00 -0.104006D+01 -0.995791D+01
      3  -0.360082D+01  0.953080D+00  0.326442D+01  0.226293D+01  0.660487D+01
      4  -0.353987D+01 -0.643758D+01 -0.115642D+02 -0.642178D+01 -0.142946D+02
      5  -0.673400D+01 -0.899577D+01 -0.991979D+01 -0.115345D+02 -0.707682D+01
      6   0.627242D+00 -0.107037D+02 -0.791719D+01 -0.141570D+02  0.264003D+01
                46            47            48            49            50 
      1  -0.713555D+02 -0.898567D+01  0.441241D+01 -0.242563D+02  0.144491D+01
      2   0.338062D+02 -0.239802D+01 -0.445262D+01  0.114300D+02 -0.557458D+01
      3   0.375493D+02  0.113837D+02  0.402140D-01  0.128263D+02  0.412967D+01
      4  -0.174533D+02 -0.142104D+02  0.261877D+01 -0.114835D+01 -0.590595D+01
      5   0.759606D+01  0.531772D+01 -0.136144D+02  0.398589D+01  0.636418D+00
      6   0.439186D+00  0.207737D+01 -0.720626D+01  0.416998D+01 -0.595175D+01
                51            52            53            54            55 
      1   0.160936D+02  0.776568D+00  0.128841D+02 -0.716878D+00  0.314528D+01
      2  -0.570015D+00  0.237364D+01 -0.708701D+01 -0.159827D+01 -0.877874D+01
      3  -0.155236D+02 -0.315021D+01 -0.579706D+01  0.231515D+01  0.563346D+01
      4   0.236718D+01 -0.949384D+00  0.525853D+01 -0.364058D+01  0.272115D+01
      5  -0.651021D+01  0.389770D+01 -0.135038D+01  0.333859D+00 -0.261389D+01
      6  -0.409947D+01 -0.463841D+00 -0.656511D-01 -0.823064D+01  0.518248D+01
                56            57            58            59            60 
      1  -0.968295D+01 -0.868188D+01  0.195732D+01 -0.170514D+01 -0.106519D+02
      2   0.215588D+02  0.234322D+01  0.116603D+02 -0.154733D+02 -0.729956D+00
      3  -0.118759D+02  0.633866D+01 -0.136176D+02  0.171784D+02  0.113819D+02
      4  -0.168661D+02  0.476368D+00 -0.107851D+02  0.232245D+02 -0.128710D+01
      5  -0.204343D+01  0.859518D-01 -0.312421D+00  0.423898D+01 -0.648885D-01
      6   0.120050D+02  0.444770D+01  0.497441D+01  0.662351D+00  0.108491D+02
                61            62            63            64            65 
      1   0.345224D+01 -0.301785D+01  0.140194D+02  0.708852D+01 -0.698453D+01
      2  -0.698634D+01  0.985901D+01  0.195878D+02  0.535047D+01  0.291255D+01
      3   0.353410D+01 -0.684117D+01 -0.336073D+02 -0.124390D+02  0.407198D+01
      4   0.436557D+01 -0.406679D+01  0.801204D+01 -0.693113D+01 -0.124194D+02
      5   0.108674D+01  0.126283D+01  0.177682D+02 -0.116365D+02 -0.105233D+02
      6   0.156297D+01  0.647806D+01 -0.120239D+02 -0.271779D+02  0.943544D+01
                66            67            68            69            70 
      1  -0.125005D+02 -0.687624D+01 -0.856784D+00 -0.276286D+01 -0.105050D+02
      2   0.146805D+02  0.145802D+01 -0.821186D+01  0.221575D+02  0.136515D+02
      3  -0.218002D+01  0.541822D+01  0.906864D+01 -0.193946D+02 -0.314647D+01
      4  -0.245695D+02 -0.884567D+01  0.154994D+01  0.111922D+02 -0.216760D+02
      5  -0.230952D+02 -0.568548D+01  0.894070D+01  0.284265D+00 -0.199210D+02
      6  -0.782575D+00  0.925986D+01  0.169540D+02 -0.892459D+01 -0.533100D+00
                71            72            73            74            75 
      1  -0.695015D+01  0.469418D+01  0.131062D+03  0.173643D+02 -0.495817D+01
      2   0.270713D+02 -0.101952D+02 -0.632175D+02 -0.438497D+01  0.340593D+01
      3  -0.201212D+02  0.550101D+01 -0.678447D+02 -0.129793D+02  0.155224D+01
      4   0.123735D+02 -0.600998D+01  0.226824D+02  0.287398D+02 -0.207929D+01
      5  -0.127273D+01 -0.177432D+01 -0.104504D+02 -0.308539D+01  0.260157D+02
      6  -0.137594D+02 -0.852212D+01 -0.603221D+01 -0.405959D+01  0.459209D+01
                76            77            78            79            80 
      1   0.216243D+02  0.160072D+02 -0.428130D+01  0.304219D+01 -0.291139D+01
      2  -0.927862D+01 -0.436162D+00  0.194893D+01  0.168400D+01  0.130807D+01
      3  -0.123457D+02 -0.155710D+02  0.233237D+01 -0.472619D+01  0.160332D+01
      4   0.304465D+02  0.164573D+02 -0.358773D+01 -0.393012D+01 -0.265431D+01
      5  -0.621644D+01 -0.434372D+01  0.711152D+01  0.257888D+02  0.594794D+01
      6  -0.434905D+01 -0.275903D+01  0.716971D+01  0.304729D+01  0.596796D+01
                81            82            83            84            85 
      1   0.121339D+02 -0.713542D+01 -0.149456D+02 -0.312953D+02 -0.215350D+02
      2  -0.124830D+02  0.680986D+01  0.112858D+02  0.165049D+02  0.183958D+02
      3   0.349037D+00  0.325562D+00  0.365977D+01  0.147904D+02  0.313923D+01
      4   0.495170D+01 -0.128232D+02 -0.841545D+01  0.137628D+01 -0.139164D+02
      5  -0.545877D+01 -0.313762D+02 -0.161849D+01 -0.146082D+02 -0.515748D+01
      6  -0.797261D+00  0.536185D+01  0.120727D+01  0.121186D+01  0.201856D+01
                86            87            88            89            90 
      1  -0.153374D+01 -0.709933D+00 -0.374795D+02 -0.995865D+00 -0.181151D+02
      2  -0.129157D+02 -0.366960D+01  0.190730D+02 -0.379862D+01  0.147915D+02
      3   0.144494D+02  0.437953D+01  0.184065D+02  0.479448D+01  0.332354D+01
      4   0.356830D+02  0.976636D+01 -0.131858D+01  0.938648D+01 -0.129886D+02
      5   0.973788D+01 -0.164739D+02 -0.208032D+02 -0.152240D+02  0.128690D+02
      6  -0.712504D+01  0.156955D+01  0.115435D+01  0.192205D+01 -0.125193D+01
                91            92            93            94            95 
      1   0.141403D+02 -0.297475D+01 -0.117508D+02 -0.489153D+01  0.526804D+01
      2   0.145673D+02  0.111910D+02  0.172869D+02  0.144809D+02 -0.317095D+02
      3  -0.287075D+02 -0.821622D+01 -0.553611D+01 -0.958933D+01  0.264415D+02
      4  -0.789371D+01 -0.281485D+01  0.874775D+01 -0.376000D+01  0.198947D+02
      5  -0.393016D+01 -0.322410D+01 -0.295406D+02 -0.634278D+01 -0.413429D+01
      6   0.652230D+01 -0.341628D+01 -0.444638D+01 -0.553707D+01  0.166092D+02
                96            97            98            99           100 
      1   0.640196D+01 -0.107307D+02  0.784423D+01 -0.112725D+02 -0.215037D+01
      2   0.950618D+01  0.174039D+02  0.125998D+01  0.180932D+02 -0.117852D+02
      3  -0.159081D+02 -0.667321D+01 -0.910421D+01 -0.682072D+01  0.139355D+02
      4   0.213807D+01  0.784584D+01  0.508624D+01 -0.336180D+01 -0.161239D+01
      5  -0.124990D+02 -0.276724D+02 -0.920971D+01 -0.123353D+02 -0.132933D+02
      6   0.977960D+01 -0.187380D+01  0.114661D+02 -0.115820D+02 -0.404310D-03
               101           102           103           104           105 
      1  -0.171418D+00  0.921096D+01  0.376188D+01 -0.354678D+01 -0.102353D+02
      2   0.510660D+01  0.145267D+02  0.445575D+01 -0.193635D+01 -0.817526D+01
      3  -0.493518D+01 -0.237377D+02 -0.821762D+01  0.548313D+01  0.184105D+02
      4   0.283093D+01 -0.971941D-01  0.214938D+01 -0.138065D+01 -0.136304D+01
      5   0.292956D+01  0.186469D+02  0.358384D+01 -0.472868D+01 -0.587040D+01
      6  -0.569093D+01 -0.158532D+01 -0.307387D+01  0.666863D+01  0.717202D+01
               106           107           108           109           110 
      1   0.553187D+01 -0.324415D+01 -0.212471D+02  0.470576D+01  0.259284D+01
      2   0.991473D+01 -0.454114D+01 -0.270133D+02 -0.151321D+02  0.108944D+01
      3  -0.154466D+02  0.778528D+01  0.482604D+02  0.104263D+02 -0.368228D+01
      4  -0.226638D+00 -0.171764D+01 -0.161699D+01 -0.114181D+02  0.699607D+01
      5   0.148889D+02 -0.439670D+01 -0.176065D+02  0.281526D+02 -0.595426D+01
      6  -0.145627D+01  0.694867D+01  0.194571D+01 -0.913274D+01  0.923419D+01
               111           112           113           114           115 
      1  -0.333404D+01  0.173133D+01 -0.189344D+01  0.244688D+01 -0.220087D+01
      2  -0.126580D+02  0.155732D+01  0.199519D+01  0.414245D+00 -0.758688D+01
      3   0.159920D+02 -0.328865D+01 -0.101752D+00 -0.286112D+01  0.978775D+01
      4  -0.844603D+01  0.716020D+01 -0.306349D+01  0.423024D+01 -0.518394D+01
      5   0.247999D+02 -0.564323D+01  0.509002D+01 -0.592105D+01  0.165731D+02
      6  -0.111865D+02  0.656105D+01 -0.658115D+01  0.844188D+01 -0.725040D+01
               116           117           118           119           120 
      1   0.190966D+01 -0.841456D+01 -0.352426D+01  0.146437D+02 -0.450871D+01
      2   0.305055D-01 -0.144828D+02  0.108407D+02 -0.263023D+02  0.296930D+01
      3  -0.194017D+01  0.228974D+02 -0.731643D+01  0.116586D+02  0.153941D+01
      4   0.262561D+01 -0.614987D+01 -0.701580D+01  0.140104D+02 -0.368356D+01
      5  -0.488797D+01  0.164603D+02  0.148877D+01 -0.454641D+01  0.277152D+01
      6   0.609052D+01 -0.931638D+01 -0.657999D+01  0.101828D+02 -0.615078D+01
               121           122           123           124           125 
      1   0.865216D+01 -0.369355D+02  0.720914D+01 -0.162306D+01  0.436934D+01
      2  -0.142818D+02  0.668452D+02 -0.936069D+01  0.364205D-01 -0.412582D+01
      3   0.562961D+01 -0.299097D+02  0.215155D+01  0.158664D+01 -0.243519D+00
      4   0.113998D+02 -0.986129D+01  0.644244D+00 -0.214937D+01  0.316668D+00
      5  -0.384205D+01  0.299626D+01 -0.808895D+00  0.254448D+01 -0.734290D+00
      6   0.439370D+01 -0.244427D+02  0.132210D+02 -0.296393D+01  0.118436D+02
               126           127           128           129           130 
      1  -0.586190D+01  0.226461D+02  0.325626D+01 -0.214647D+01  0.200899D+01
      2   0.575102D+01 -0.390687D+01  0.620016D+01  0.994038D+00  0.337647D+01
      3   0.110888D+00 -0.187392D+02 -0.945642D+01  0.115243D+01 -0.538546D+01
      4  -0.279855D+01  0.376562D+02  0.232383D+02 -0.132607D+02  0.146839D+02
      5   0.129049D+01 -0.228018D+02 -0.102689D+02  0.128752D+02 -0.522454D+01
      6  -0.364253D+01 -0.166888D+02 -0.114813D+02  0.130673D+02 -0.645650D+01
               131           132           133           134           135 
      1  -0.129492D+01  0.806791D+00 -0.281934D+01  0.951583D+00  0.124086D+01
      2   0.970851D+01 -0.357040D+01  0.243440D+01 -0.314491D+01 -0.412265D+01
      3  -0.841359D+01  0.276361D+01  0.384945D+00  0.219333D+01  0.288179D+01
      4   0.105102D+02 -0.533684D+01 -0.108469D+02 -0.671082D+01  0.843287D+01
      5  -0.498268D+01  0.337920D+01  0.127763D+02  0.520193D+01 -0.859282D+01
      6  -0.865768D+01  0.529331D+01  0.998800D+01  0.777187D+01 -0.808441D+01
               136           137           138           139           140 
      1  -0.137153D+01  0.155051D+01  0.252373D+00  0.256166D+01 -0.380856D+01
      2  -0.463804D+01 -0.166130D+01  0.522237D+01 -0.350995D+01  0.115617D+01
      3   0.600957D+01  0.110790D+00 -0.547474D+01  0.948286D+00  0.265240D+01
      4  -0.117032D+01  0.520183D+01  0.430203D+01  0.148958D+01 -0.297167D+01
      5  -0.557499D+01  0.144857D+01  0.123289D+02 -0.258245D+01 -0.258839D+01
      6   0.243052D+01 -0.286422D+01 -0.330977D+01 -0.135566D+01  0.197928D+01
               141           142           143           144           145 
      1   0.205688D+00 -0.177127D+01 -0.626616D+01 -0.291862D+02  0.703889D+01
      2   0.709410D+01  0.633683D+01  0.118148D+01 -0.272453D+02  0.680045D+01
      3  -0.729978D+01 -0.456556D+01  0.508468D+01  0.564315D+02 -0.138393D+02
      4  -0.145845D+01  0.455680D+01 -0.361545D+01 -0.849792D+01 -0.199934D+02
      5   0.403490D+01  0.112517D+02 -0.352787D+01 -0.252951D+02 -0.457264D+01
      6   0.524282D+01 -0.441853D+01  0.103654D+02  0.254507D+02  0.432502D+01
               146           147           148           149           150 
      1   0.102878D+01  0.221803D+01 -0.383576D+00 -0.156829D+02 -0.199908D+01
      2  -0.144405D+02 -0.175606D+01 -0.125350D+02  0.423937D+02  0.147205D+01
      3   0.134117D+02 -0.461969D+00  0.129185D+02 -0.267108D+02  0.527032D+00
      4   0.259993D+02  0.377213D+01  0.214528D+02 -0.348736D+02 -0.316720D+01
      5   0.684711D+01  0.486442D+01  0.524806D+01 -0.518694D+01 -0.390262D+01
      6  -0.829565D+01 -0.505824D+01 -0.678135D+01  0.144133D+02  0.787913D+01
               151           152           153           154           155 
      1   0.302072D+01 -0.304092D+00 -0.453115D+01  0.721228D+01 -0.844144D+00
      2   0.977724D+00 -0.692388D+01  0.196640D+01 -0.875010D+00  0.690657D+01
      3  -0.399845D+01  0.722797D+01  0.256475D+01 -0.633727D+01 -0.606243D+01
      4  -0.457440D+01  0.532491D+01 -0.489519D+01  0.200320D+02  0.184801D+02
      5   0.136454D+01 -0.294265D+01 -0.160729D+01  0.175281D+02  0.104410D+02
      6  -0.248056D+01  0.538779D+01  0.250325D+01  0.136814D+02  0.117565D+02
               156           157           158           159           160 
      1   0.127241D+01 -0.174089D+01 -0.637834D+01 -0.437777D+01  0.101908D+01
      2  -0.153495D+01  0.651563D+01  0.133767D+02  0.527357D+01 -0.196593D+01
      3   0.262541D+00 -0.477474D+01 -0.699838D+01 -0.895800D+00  0.946844D+00
      4   0.133469D+02  0.151440D+02  0.155244D+02  0.958343D+01  0.122411D+02
      5   0.152114D+02  0.745289D+01  0.928364D+01  0.728435D+01  0.149151D+02
      6   0.121036D+02  0.956864D+01  0.141936D+02  0.151016D+02  0.117719D+02
               161           162           163           164           165 
      1  -0.521089D+01 -0.676321D+01  0.117869D+02 -0.237588D+01  0.199928D+01
      2   0.451124D+01 -0.449358D+00 -0.121423D+02  0.614436D+01 -0.101703D+02
      3   0.699653D+00  0.721257D+01  0.355361D+00 -0.376848D+01  0.817098D+01
      4   0.108604D+02  0.130750D+02  0.251763D+02  0.146707D+02  0.173139D+02
      5   0.969983D+01  0.164159D+02  0.262715D+02  0.881922D+01  0.225007D+02
      6   0.174811D+02  0.197858D+02  0.173077D+02  0.104530D+02  0.159344D+02
               166           167           168           169           170 
      1  -0.866666D+00 -0.434127D+00 -0.104143D+01  0.321974D+01 -0.254455D+01
      2   0.367749D+01  0.239083D+01  0.131457D+01 -0.960132D+01  0.109129D-01
      3  -0.281082D+01 -0.195671D+01 -0.273137D+00  0.638159D+01  0.253364D+01
      4   0.757770D+01  0.539766D+01  0.334607D+01  0.154051D+02  0.581852D+01
      5   0.252748D+01  0.398708D+01  0.147799D+01  0.194895D+02  0.540044D+01
      6   0.437897D+01  0.266426D+01  0.616947D+01  0.118036D+02  0.118293D+02
               171           172           173           174           175 
      1  -0.440582D+01 -0.669540D+00  0.247151D-01  0.790491D+00 -0.242214D+00
      2  -0.797897D+01  0.354709D+01  0.544572D+01 -0.358248D+01  0.533942D+01
      3   0.123848D+02 -0.287755D+01 -0.547044D+01  0.279199D+01 -0.509721D+01
      4   0.119442D+02  0.516259D+01  0.101465D+02 -0.163181D+01  0.963167D+01
      5   0.180467D+02  0.604346D+00  0.494934D+00  0.478145D+01  0.500711D+00
      6   0.169713D+02  0.580561D+00 -0.205250D+01  0.200339D+01 -0.205719D+01
               176           177           178           179           180 
      1  -0.166864D+02  0.557970D+01  0.306087D+00  0.111520D+02 -0.472300D+01
      2   0.425952D+02 -0.176253D+02 -0.453139D+01 -0.290227D+02  0.127725D+02
      3  -0.259088D+02  0.120456D+02  0.422531D+01  0.178706D+02 -0.804950D+01
      4   0.112448D+02 -0.534547D+01 -0.558801D+01 -0.947242D+01  0.457679D+01
      5  -0.312356D+01  0.222656D+01  0.311718D+01  0.275986D+01 -0.358988D+01
      6  -0.837844D+01  0.120922D+02  0.143456D+01  0.104985D+02 -0.156372D+02
               181           182           183           184           185 
      1  -0.379673D+01  0.114472D+02  0.111704D+02  0.609383D+01 -0.980246D+01
      2   0.349737D+00 -0.125770D+02 -0.238058D+01 -0.650872D+01  0.121594D+02
      3   0.344699D+01  0.112982D+01 -0.878980D+01  0.414899D+00 -0.235695D+01
      4  -0.177144D+02  0.108114D+02  0.123173D+02  0.843516D+01 -0.835908D+01
      5  -0.121454D+02  0.657902D+01  0.109186D+02  0.401786D+01 -0.580065D+01
      6   0.144272D+02 -0.156720D+02 -0.164244D+02 -0.893286D+01  0.107283D+02
               186           187           188           189           190 
      1  -0.715872D+01  0.777902D+01 -0.100451D+02 -0.141236D+02  0.697890D+01
      2   0.380028D+01 -0.205019D+01  0.504618D+01  0.998045D+00 -0.630469D+01
      3   0.335844D+01 -0.572883D+01  0.499893D+01  0.131255D+02 -0.674216D+00
      4  -0.659263D+01  0.118159D+02 -0.703435D+01 -0.764179D+01  0.427282D+01
      5  -0.344031D+01  0.107111D+02 -0.362070D+01 -0.732124D+01 -0.610638D+01
      6   0.125686D+02 -0.103051D+02  0.170705D+02  0.206830D+02 -0.119968D+01
               191           192           193           194           195 
      1   0.519792D+01 -0.438900D+01  0.114234D+02 -0.259008D+00 -0.159558D+01
      2  -0.347897D+01  0.525504D+01 -0.746225D+01  0.119986D+01  0.381244D+01
      3  -0.171895D+01 -0.866035D+00 -0.396113D+01 -0.940849D+00 -0.221686D+01
      4   0.352311D+01 -0.252654D+01  0.409121D+01  0.429247D+01 -0.750782D+01
      5  -0.358764D+01  0.129938D+02 -0.501733D+01 -0.738023D+01  0.122197D+02
      6  -0.694730D+00 -0.126680D+00 -0.214829D+00 -0.225392D+01  0.240336D+01
               196           197           198           199           200 
      1  -0.120026D+02  0.650143D-02  0.540871D+01  0.686512D+01 -0.559139D+01
      2   0.909023D+01  0.314612D+01 -0.154903D+02  0.119711D+00 -0.425116D+00
      3   0.291237D+01 -0.315262D+01  0.100816D+02 -0.698483D+01  0.601651D+01
      4  -0.111908D+01 -0.100752D+02  0.840407D+01 -0.858516D+01  0.141436D+02
      5   0.181388D+02  0.971338D+01 -0.321143D+02  0.728582D+00  0.319369D+01
      6  -0.139957D+01  0.394190D+01  0.104777D+01  0.154720D+01 -0.149722D+01
               201           202           203           204           205 
      1   0.137395D+01 -0.121073D+02 -0.409562D+01  0.265122D+00  0.180382D+01
      2  -0.105733D+01 -0.162909D+01  0.262565D+02  0.215691D+01 -0.139021D+01
      3  -0.316617D+00  0.137363D+02 -0.221609D+02 -0.242203D+01 -0.413610D+00
      4   0.278237D+01  0.246065D+02 -0.477270D+02 -0.746483D+01  0.346978D+01
      5   0.405016D+01  0.474381D+01 -0.664863D+01 -0.720571D+01  0.657316D+01
      6  -0.105711D+01 -0.276904D+01  0.884767D+01  0.805436D+01 -0.233912D+01
               206           207           208           209           210 
      1  -0.330597D+00  0.869109D+00  0.597026D+02  0.828289D+01  0.204711D+02
      2   0.237163D+01  0.503887D+00 -0.326071D+02 -0.507518D+01 -0.122693D+02
      3  -0.204104D+01 -0.137300D+01 -0.270955D+02 -0.320771D+01 -0.820185D+01
      4  -0.662161D+01 -0.457981D+01  0.390895D+01  0.100475D+02  0.152974D+01
      5  -0.482227D+01 -0.448692D+01  0.238080D+02  0.310806D+01  0.178862D+02
      6   0.709232D+01  0.290546D+01 -0.225075D+01  0.704174D+00 -0.155443D+01
               211           212           213           214           215 
      1   0.177328D+02  0.701424D+01  0.456198D+01  0.355920D+02  0.314645D+01
      2  -0.103397D+02 -0.163652D+01 -0.251210D+01 -0.205946D+02 -0.188865D+01
      3  -0.739306D+01 -0.537773D+01 -0.204988D+01 -0.149973D+02 -0.125780D+01
      4   0.119893D+02  0.247663D+01  0.369851D+01  0.114160D+01  0.685262D+01
      5   0.682924D+01  0.368251D+01  0.761940D+01  0.240640D+02  0.463149D+01
      6   0.107370D+01  0.188325D+01  0.186810D+01 -0.152594D+01  0.207967D+01
               216           217           218           219           220 
      1   0.150056D+02 -0.650444D+01 -0.493020D+01  0.141035D+02 -0.108454D+01
      2  -0.131332D+02 -0.569886D+01  0.160951D+01  0.440696D+01 -0.568158D+00
      3  -0.187245D+01  0.122033D+02  0.332069D+01 -0.185105D+02  0.165270D+01
      4   0.342474D+01  0.123620D+02  0.295415D+01 -0.630868D+01  0.293270D+01
      5   0.191541D+02 -0.207609D+02 -0.154503D-01  0.125185D+02  0.601854D+00
      6  -0.138670D+01 -0.454313D+01 -0.854850D+01  0.104404D+02 -0.414429D+01
               221           222           223           224           225 
      1  -0.273653D+01  0.667578D+00  0.888627D+01  0.151715D+01 -0.104527D+02
      2   0.413939D+01 -0.264887D+01  0.261437D+01 -0.106058D+01 -0.897462D+01
      3  -0.140286D+01  0.198129D+01 -0.115006D+02 -0.456570D+00  0.194273D+02
      4  -0.308162D+00 -0.122622D+01 -0.571279D+01 -0.191202D+01  0.472765D+01
      5  -0.278508D+01  0.296304D+01  0.132545D+02  0.194099D+01 -0.739602D+01
      6  -0.262941D+01  0.268849D+01  0.514181D+01  0.400846D+01 -0.620857D+01
               226           227           228           229           230 
      1   0.100753D+02  0.247769D+01  0.166040D+01  0.384325D+01 -0.478776D+00
      2  -0.206620D+02 -0.464522D+01 -0.210943D+02 -0.805866D+01 -0.362735D+00
      3   0.105867D+02  0.216754D+01  0.194339D+02  0.421541D+01  0.841512D+00
      4  -0.445185D+01  0.498549D+01 -0.525019D+01  0.280254D+01  0.286590D+00
      5   0.279791D+02  0.176807D+01  0.300530D+02  0.896081D+01  0.583390D+01
      6  -0.225958D+01  0.686843D+01 -0.393650D+01  0.450030D+01  0.215686D+01
               231           232           233           234           235 
      1  -0.197319D+01  0.248694D+01 -0.544387D-01 -0.761156D+01 -0.214750D+00
      2  -0.968075D+01 -0.175819D+02 -0.363163D+01 -0.286004D+02  0.231211D+01
      3   0.116539D+02  0.150949D+02  0.368607D+01  0.362119D+02 -0.209736D+01
      4   0.226073D+01 -0.457908D+01  0.257301D+01 -0.300959D+01 -0.563377D+01
      5   0.101056D+02  0.254195D+02  0.278452D+01  0.313996D+02  0.280053D+01
      6   0.431860D+01 -0.224855D+01  0.593071D+01 -0.460397D+01 -0.375128D+01
               236           237           238           239           240 
      1  -0.718997D+00 -0.459447D-01 -0.536392D+00 -0.218863D+02  0.566544D+01
      2  -0.565909D+01 -0.191182D+01 -0.654678D+01  0.484226D+02 -0.115001D+01
      3   0.637809D+01  0.195777D+01  0.708317D+01 -0.265363D+02 -0.451544D+01
      4   0.110932D+02 -0.171715D+01  0.127342D+02 -0.246661D+02  0.317628D+01
      5  -0.380268D+01  0.568903D+01 -0.530968D+01  0.671476D+01 -0.366335D+01
      6   0.549505D+01 -0.145605D+01  0.636051D+01 -0.315806D+02  0.119531D+02
               241           242           243 
      1  -0.643351D+00  0.460001D+00 -0.124928D+01
      2  -0.213427D+01  0.464310D+01  0.218816D+01
      3   0.277762D+01 -0.510310D+01 -0.938881D+00
      4   0.127639D+01 -0.235796D+01 -0.153395D+01
      5   0.318955D+01 -0.467268D+00  0.997664D+00
      6  -0.318846D+00  0.443109D+01  0.315940D+00
 Leave Link  716 at Wed Mar 16 20:06:53 2022, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.140830D+03  0.173309D+01 -0.676153D+00
      2   0.173309D+01  0.134146D+03  0.188989D+01
      3  -0.676153D+00  0.188989D+01  0.130408D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.155141D+00 -0.521586D+01  0.254286D+01
      2   0.257296D+01 -0.492246D+01  0.237369D+02
      3   0.561689D+01 -0.194654D+02  0.579622D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.227446D+02 -0.157830D+02  0.128849D+02
      2  -0.156977D+02  0.636713D+01 -0.763036D+01
      3  -0.704695D+01  0.941592D+01 -0.525449D+01
      4  -0.189210D+02  0.372404D+02 -0.170419D+02
      5   0.929930D+01 -0.171234D+02  0.483005D+02
      6  -0.891768D+01 -0.136297D+02 -0.368021D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.265705D+01  0.211702D+01  0.766510D+01  0.146644D+01  0.337016D+01
      2   0.211702D+01  0.394618D+01  0.507912D+00  0.337016D+01 -0.828046D+01
      3   0.766510D+01  0.507912D+00  0.393262D+01 -0.137385D-01 -0.219935D+01
                 6             7             8             9            10 
      1  -0.137385D-01  0.948674D+01  0.750486D+00  0.281138D+01 -0.656960D+01
      2  -0.219935D+01  0.750486D+00 -0.209765D+01  0.545969D+01 -0.275494D+01
      3   0.415264D+01  0.281138D+01  0.545969D+01 -0.140519D+01 -0.575551D+01
                11            12            13            14            15 
      1  -0.275494D+01 -0.575551D+01 -0.365897D+01  0.969775D+00  0.305888D+01
      2   0.112802D+01  0.277851D+01  0.969775D+00  0.871500D+00  0.402961D+01
      3   0.277851D+01 -0.954342D+00  0.305888D+01  0.402961D+01 -0.542258D+01
                16            17            18            19            20 
      1  -0.588279D+01  0.286815D+01 -0.300641D+01  0.324368D+01 -0.558696D+00
      2   0.286815D+01  0.305469D+01 -0.378390D+01 -0.558696D+00 -0.188199D+01
      3  -0.300641D+01 -0.378390D+01 -0.216099D+01  0.597386D+01 -0.362485D+01
                21            22            23            24            25 
      1   0.597386D+01  0.104182D+01 -0.319620D+00 -0.543647D+01  0.393375D+01
      2  -0.362485D+01 -0.319620D+00  0.620715D+00 -0.319715D+01 -0.326482D+01
      3  -0.115078D+01 -0.543647D+01 -0.319715D+01  0.330681D+01 -0.317319D+00
                26            27            28            29            30 
      1  -0.326482D+01 -0.317319D+00 -0.532189D+01 -0.334254D+01  0.330423D+01
      2  -0.432152D+01  0.204954D+01 -0.334254D+01  0.516460D+01  0.127407D+01
      3   0.204954D+01  0.377378D+01  0.330423D+01  0.127407D+01 -0.336274D+00
                31            32            33            34            35 
      1  -0.131556D+01  0.413322D+01  0.141333D+01  0.267096D+01  0.135684D+01
      2   0.413322D+01 -0.488391D+01  0.274174D+01  0.135684D+01  0.216657D+01
      3   0.141333D+01  0.274174D+01  0.255476D+01 -0.119756D+00  0.197169D+01
                36            37            38            39            40 
      1  -0.119756D+00  0.123913D+01 -0.176653D+01 -0.568137D+01  0.136493D+00
      2   0.197169D+01 -0.176653D+01 -0.436352D+01 -0.222333D+01 -0.599962D+01
      3  -0.352070D+01 -0.568137D+01 -0.222333D+01 -0.238499D+01 -0.252777D+01
                41            42            43            44            45 
      1  -0.599962D+01 -0.252777D+01 -0.455598D+01 -0.227511D+01 -0.259149D+01
      2   0.660261D+01 -0.211815D+01 -0.227511D+01 -0.215961D+00 -0.486828D+01
      3  -0.211815D+01 -0.364014D+01 -0.259149D+01 -0.486828D+01  0.259059D+01
                46            47            48            49            50 
      1   0.112611D+02  0.427512D+01  0.101140D+00  0.404222D+01 -0.131566D+01
      2   0.427512D+01 -0.464200D+01 -0.424636D+01 -0.131566D+01 -0.939857D+00
      3   0.101140D+00 -0.424636D+01 -0.236174D+01 -0.263716D+01 -0.126644D+01
                51            52            53            54            55 
      1  -0.263716D+01  0.217121D+00 -0.185721D+01  0.489783D+00 -0.195668D+01
      2  -0.126644D+01 -0.185721D+01 -0.770681D+00  0.655320D+00 -0.145850D+01
      3   0.328272D+00  0.489783D+00  0.655320D+00  0.230637D+01  0.182863D+01
                56            57            58            59            60 
      1  -0.145850D+01  0.182863D+01 -0.212353D+01  0.502568D+01  0.149214D+01
      2   0.640672D+01  0.185510D+01  0.502568D+01 -0.435334D+01  0.172396D+01
      3   0.185510D+01  0.191494D+01  0.149214D+01  0.172396D+01  0.259358D+01
                61            62            63            64            65 
      1   0.419473D+00 -0.619173D+00  0.154041D+01  0.211939D+01  0.285077D+01
      2  -0.619173D+00  0.223027D+01  0.824968D+00  0.285077D+01 -0.251048D+00
      3   0.154041D+01  0.824968D+00 -0.783785D+01  0.662208D+01 -0.168142D+01
                66            67            68            69            70 
      1   0.662208D+01  0.201570D+01 -0.939336D+00 -0.185142D+01  0.552812D+01
      2  -0.168142D+01 -0.939336D+00  0.119055D+00 -0.400925D+01 -0.198914D+01
      3   0.133038D+01 -0.185142D+01 -0.400925D+01  0.350044D+01  0.126771D+01
                71            72            73            74            75 
      1  -0.198914D+01  0.126771D+01 -0.208265D+02 -0.408877D+01  0.151494D+01
      2  -0.410338D+01  0.432255D+01 -0.408877D+01 -0.138481D+01  0.142274D+01
      3   0.432255D+01  0.106619D+01  0.151494D+01  0.142274D+01 -0.137208D+01
                76            77            78            79            80 
      1  -0.460946D+01 -0.439981D+01  0.824644D+00  0.447772D+00  0.262589D+00
      2  -0.439981D+01 -0.268388D+01  0.913073D+00  0.262589D+00  0.199531D+00
      3   0.824644D+00  0.913073D+00 -0.482378D+00 -0.386055D+01 -0.112774D+01
                81            82            83            84            85 
      1  -0.386055D+01 -0.183224D+01 -0.239223D+01 -0.582839D+01 -0.316795D+01
      2  -0.112774D+01 -0.239223D+01 -0.203468D+01 -0.437879D+00 -0.321843D+01
      3  -0.119263D+00 -0.582839D+01 -0.437879D+00 -0.261077D+01 -0.544564D+00
                86            87            88            89            90 
      1  -0.321843D+01 -0.544564D+00 -0.692973D+01 -0.544571D+00 -0.343984D+01
      2   0.779811D+01  0.252940D+01 -0.544571D+00  0.236430D+01 -0.377491D+01
      3   0.252940D+01 -0.393324D+01 -0.343984D+01 -0.377491D+01  0.343131D+01
                91            92            93            94            95 
      1   0.271045D+01 -0.748996D+00 -0.681011D+01 -0.121042D+01 -0.254450D+01
      2  -0.748996D+00 -0.224142D+01 -0.950712D+00 -0.254450D+01  0.795571D+01
      3  -0.681011D+01 -0.950712D+00 -0.233235D+01 -0.118465D+01  0.148154D+01
                96            97            98            99           100 
      1  -0.118465D+01 -0.620815D+01 -0.119663D+01 -0.239485D+01  0.314051D+01
      2   0.148154D+01 -0.119663D+01  0.261585D+01 -0.368850D+01 -0.491059D+00
      3  -0.434772D+01 -0.239485D+01 -0.368850D+01 -0.786905D+00 -0.316428D+01
               101           102           103           104           105 
      1  -0.491059D+00 -0.316428D+01 -0.138702D+01  0.893389D+00  0.189854D+01
      2   0.155876D+01  0.100231D+01  0.893389D+00 -0.146128D+01 -0.119613D+01
      3   0.100231D+01  0.438351D+01  0.189854D+01 -0.119613D+01 -0.346083D+01
               106           107           108           109           110 
      1  -0.246514D+01  0.683289D+00  0.287459D+01 -0.593701D+01  0.128066D+01
      2   0.683289D+00 -0.106890D+01 -0.140342D+01  0.128066D+01 -0.174343D+01
      3   0.287459D+01 -0.140342D+01 -0.828377D+01 -0.458837D+01  0.167506D+01
               111           112           113           114           115 
      1  -0.458837D+01  0.107737D+01 -0.116522D+01  0.116782D+01 -0.262569D+01
      2   0.167506D+01 -0.116522D+01  0.121643D+01 -0.107221D+01  0.100146D+01
      3  -0.471645D+01  0.116782D+01 -0.107221D+01  0.102995D+01 -0.263703D+01
               116           117           118           119           120 
      1   0.100146D+01 -0.263703D+01 -0.126031D+01  0.262722D+01 -0.834651D+00
      2  -0.694009D+00  0.853557D+00  0.262722D+01 -0.493751D+01  0.860123D+00
      3   0.853557D+00 -0.484564D+01 -0.834651D+00  0.860123D+00 -0.109329D+01
               121           122           123           124           125 
      1   0.191152D+01 -0.252770D+01  0.323359D+00 -0.453713D+00 -0.897648D-02
      2  -0.252770D+01  0.111197D+02 -0.214472D+01 -0.897648D-02 -0.103454D+01
      3   0.323359D+00 -0.214472D+01  0.156356D+01 -0.504380D+00  0.125688D+01
               126           127           128           129           130 
      1  -0.504380D+00  0.866008D+01  0.353270D+01 -0.284669D+01  0.190910D+01
      2   0.125688D+01  0.353270D+01  0.298179D+01 -0.150560D+01  0.172343D+01
      3  -0.388277D+00 -0.284669D+01 -0.150560D+01  0.257393D+01 -0.895142D+00
               131           132           133           134           135 
      1   0.172343D+01 -0.895142D+00 -0.246912D+01 -0.114916D+01  0.196312D+01
      2   0.231967D+01 -0.105781D+01 -0.114916D+01 -0.129864D+01  0.811004D+00
      3  -0.105781D+01  0.470248D+00  0.196312D+01  0.811004D+00 -0.160767D+01
               136           137           138           139           140 
      1  -0.943343D-01  0.177543D+00  0.152757D+01 -0.422110D+00 -0.534708D+00
      2   0.177543D+00 -0.854347D+00 -0.527359D+00 -0.534708D+00  0.404464D+00
      3   0.152757D+01 -0.527359D+00 -0.172829D+01  0.219815D+00  0.103113D+01
               141           142           143           144           145 
      1   0.219815D+00  0.211285D+01 -0.143021D+00 -0.179199D+01 -0.346645D+01
      2   0.103113D+01 -0.143021D+00  0.178735D+01  0.122674D+01  0.339180D+01
      3  -0.127431D+01 -0.179199D+01  0.122674D+01  0.118766D+02  0.229897D+00
               146           147           148           149           150 
      1   0.339180D+01  0.229897D+00  0.360511D+01 -0.391571D+01 -0.575641D+00
      2  -0.473610D+01 -0.945487D+00 -0.391571D+01  0.941786D+01  0.521007D+00
      3  -0.945487D+00 -0.105164D+01 -0.575641D+00  0.521007D+00  0.126632D+01
               151           152           153           154           155 
      1  -0.108253D+01  0.784454D+00 -0.516606D+00  0.504110D+01  0.324988D+01
      2   0.784454D+00 -0.152154D+01  0.115799D+01  0.324988D+01  0.347855D+01
      3  -0.516606D+00  0.115799D+01  0.825725D+00  0.351613D+01  0.201530D+01
               156           157           158           159           160 
      1   0.351613D+01  0.199843D+01  0.290385D+01  0.129079D+01  0.329822D+01
      2   0.201530D+01  0.290385D+01  0.375400D+01  0.245711D+01  0.193992D+01
      3   0.319463D+01  0.129079D+01  0.245711D+01  0.249823D+01  0.306952D+01
               161           162           163           164           165 
      1   0.193992D+01  0.306952D+01 -0.637217D+01 -0.215545D+01 -0.427546D+01
      2   0.275038D+01  0.326954D+01 -0.215545D+01 -0.257671D+01 -0.141797D+01
      3   0.326954D+01  0.459603D+01 -0.427546D+01 -0.141797D+01 -0.401532D+01
               166           167           168           169           170 
      1  -0.628698D+00 -0.109295D+01 -0.205220D+00 -0.381546D+01 -0.912686D+00
      2  -0.109295D+01 -0.378663D+00 -0.414534D+00 -0.912686D+00 -0.996535D+00
      3  -0.205220D+00 -0.414534D+00 -0.450051D+00 -0.312039D+01 -0.185079D+01
               171           172           173           174           175 
      1  -0.312039D+01 -0.879116D+00 -0.139269D+01  0.149791D-02 -0.116528D+01
      2  -0.185079D+01 -0.139269D+01 -0.118556D+01  0.600149D+00 -0.100646D+01
      3  -0.421811D+01  0.149791D-02  0.600149D+00 -0.543451D+00  0.476086D+00
               176           177           178           179           180 
      1  -0.100646D+01  0.476086D+00  0.786265D+00  0.105393D+01 -0.446226D+00
      2  -0.695010D+01  0.286739D+01  0.105393D+01  0.546725D+01 -0.268783D+01
      3   0.286739D+01 -0.232956D+01 -0.446226D+00 -0.268783D+01  0.362992D+01
               181           182           183           184           185 
      1   0.404473D+01 -0.207074D+01 -0.287659D+01 -0.135557D+01  0.173598D+01
      2  -0.207074D+01  0.334545D+01  0.207863D+01  0.173598D+01 -0.227950D+01
      3  -0.287659D+01  0.207863D+01  0.304837D+01  0.119134D+01 -0.110360D+01
               186           187           188           189           190 
      1   0.119134D+01 -0.272644D+01  0.139164D+01  0.194194D+01  0.106798D+01
      2  -0.110360D+01  0.139164D+01 -0.196793D+01 -0.258885D+01  0.103728D+01
      3  -0.159308D+01  0.194194D+01 -0.258885D+01 -0.401703D+01 -0.112985D+01
               191           192           193           194           195 
      1   0.103728D+01 -0.112985D+01  0.209327D+01  0.533826D+00 -0.623313D+00
      2   0.381652D+00 -0.322990D+00  0.533826D+00  0.116752D+01 -0.178932D+01
      3  -0.322990D+00  0.163531D+01 -0.623313D+00 -0.178932D+01  0.256078D+01
               196           197           198           199           200 
      1  -0.255967D+01 -0.207658D+00  0.248379D+01  0.138769D+01 -0.144957D+01
      2  -0.207658D+00 -0.218068D+01  0.215038D+01 -0.144957D+01  0.146785D+01
      3   0.248379D+01  0.215038D+01 -0.668908D+01  0.106427D+00  0.314650D+00
               201           202           203           204           205 
      1   0.106427D+00 -0.344032D+01  0.354668D+01  0.730998D+00  0.168262D+00
      2   0.314650D+00  0.354668D+01 -0.970733D+01 -0.160658D+01  0.477933D+00
      3   0.439619D+00  0.730998D+00 -0.160658D+01 -0.139654D+01  0.913716D+00
               206           207           208           209           210 
      1   0.477933D+00  0.913716D+00  0.900260D+01  0.122284D+01  0.342226D+01
      2  -0.134910D+01 -0.100483D+01  0.122284D+01  0.133072D+01  0.386495D+00
      3  -0.100483D+01 -0.970037D+00  0.342226D+01  0.386495D+00  0.229921D+01
               211           212           213           214           215 
      1   0.312160D+01  0.180384D+01  0.943517D+00  0.653459D+01  0.522185D+00
      2   0.180384D+01  0.220768D+00  0.484394D+00  0.522185D+00  0.961223D+00
      3   0.943517D+00  0.484394D+00  0.126190D+01  0.326211D+01  0.854987D+00
               216           217           218           219           220 
      1   0.326211D+01 -0.620196D+01  0.163471D-01  0.303352D+01  0.254709D+00
      2   0.854987D+00  0.163471D-01 -0.165362D+01  0.117017D+01 -0.844222D+00
      3   0.279652D+01  0.303352D+01  0.117017D+01 -0.372381D+01  0.437944D+00
               221           222           223           224           225 
      1  -0.844222D+00  0.437944D+00  0.262005D+01  0.465666D+00 -0.203573D+01
      2  -0.673029D+00  0.321791D+00  0.465666D+00  0.427517D+00 -0.125459D+00
      3   0.321791D+00  0.369482D+00 -0.203573D+01 -0.125459D+00  0.337928D+01
               226           227           228           229           230 
      1   0.444844D+01  0.321425D+00  0.422755D+01  0.155666D+01  0.108561D+01
      2   0.321425D+00  0.144889D+01  0.113454D+00  0.108561D+01  0.138215D+00
      3   0.422755D+01  0.113454D+00  0.499551D+01  0.127406D+01  0.803260D+00
               231           232           233           234           235 
      1   0.127406D+01  0.340882D+01  0.291429D+00  0.383506D+01  0.694332D+00
      2   0.803260D+00  0.291429D+00  0.726334D+00  0.652027D+00 -0.142989D+01
      3   0.265371D+01  0.383506D+01  0.652027D+00  0.698423D+01  0.716441D+00
               236           237           238           239           240 
      1  -0.142989D+01  0.716441D+00 -0.174555D+01  0.209852D+01 -0.248175D+00
      2   0.184758D+01 -0.170704D+00  0.209852D+01 -0.111350D+02  0.126982D+01
      3  -0.170704D+00  0.627543D+00 -0.248175D+00  0.126982D+01 -0.178024D+01
               241           242           243 
      1   0.141442D+00  0.318207D+00  0.329424D+00
      2   0.318207D+00 -0.113020D+01 -0.612345D+00
      3   0.329424D+00 -0.612345D+00 -0.406061D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.191316D+01  0.130230D+01  0.215870D+01  0.321141D+01 -0.733556D+01
      2   0.120341D+02 -0.273375D+00  0.436760D+01  0.231125D+01 -0.540894D+01
      3   0.134009D+01 -0.824929D+01 -0.260442D+01  0.599584D+00  0.923235D+01
                 6             7             8             9            10 
      1  -0.421194D+01  0.561903D+01  0.451297D+01  0.209597D+01 -0.515454D+01
      2   0.368812D+01 -0.323076D+01  0.412091D+01 -0.335105D+01 -0.342385D+01
      3   0.341705D+01 -0.298562D+01  0.380991D+01 -0.439377D+01 -0.257031D+01
                11            12            13            14            15 
      1  -0.312835D+01  0.128430D+01  0.184668D+01  0.509284D+01 -0.141343D+02
      2  -0.389881D+01  0.213236D+01 -0.443256D+01 -0.290220D+00  0.170233D+01
      3  -0.359615D+01  0.483027D+01  0.882761D+01  0.482520D+00  0.139243D+01
                16            17            18            19            20 
      1  -0.754779D+01 -0.438456D-02 -0.240886D+01  0.557017D+01  0.512972D+01
      2  -0.776998D+01  0.474107D+01 -0.701396D+01  0.649747D+01 -0.154697D+01
      3   0.440741D+01  0.328320D+01  0.166493D+00 -0.431417D+00 -0.524877D+01
                21            22            23            24            25 
      1   0.521642D+01 -0.123103D+01  0.231551D+01  0.715180D+01  0.599971D+01
      2   0.138952D+02 -0.885235D+00 -0.966335D+00 -0.986777D+01  0.486305D+01
      3   0.648596D+00  0.423299D+00 -0.253455D+00 -0.191989D+01  0.123733D+01
                26            27            28            29            30 
      1   0.122044D+02 -0.136266D+01 -0.632760D+01 -0.782931D+01 -0.136782D+01
      2  -0.925083D+01  0.114170D+01 -0.241100D+01 -0.225207D+01  0.608769D+01
      3  -0.220416D+01  0.489863D+00 -0.105272D+02 -0.152666D+02  0.726619D+01
                31            32            33            34            35 
      1  -0.711822D+01 -0.309377D+01 -0.131077D+02 -0.370947D+00 -0.622400D+01
      2  -0.495813D+00  0.600137D+01  0.382277D+01  0.636875D+00  0.276582D+01
      3  -0.435754D+01  0.149121D+02  0.664342D+00  0.655560D+01  0.196730D+01
                36            37            38            39            40 
      1   0.781854D+01  0.489316D+01  0.113964D+01  0.659164D+00  0.318265D+00
      2  -0.517988D+01 -0.714554D+01 -0.129411D+01  0.513498D+01 -0.166947D+01
      3  -0.196854D+01  0.625703D+01 -0.313078D+01 -0.500772D+01  0.713494D+01
                41            42            43            44            45 
      1   0.682313D+01  0.158416D+01 -0.819020D+00  0.100111D+02 -0.931278D+01
      2   0.227509D+01 -0.157419D+01 -0.311277D+01 -0.121594D+01  0.384011D+01
      3  -0.121126D+02 -0.184140D+01 -0.403467D+01 -0.231087D+01 -0.236260D+00
                46            47            48            49            50 
      1   0.381430D+01  0.171256D+01  0.534312D+01  0.420577D+01 -0.148836D+02
      2  -0.347115D+01  0.837578D+01 -0.437911D+01  0.705801D+01 -0.360236D+01
      3   0.139490D+00  0.310485D+01 -0.795620D+01  0.648074D+01  0.297327D+01
                51            52            53            54            55 
      1  -0.755535D+00  0.230502D+01  0.110096D+02  0.155062D+02 -0.621993D+01
      2  -0.856298D+00 -0.120405D+02  0.857935D+00  0.627501D+01  0.309920D+01
      3  -0.290105D+01 -0.826058D+01 -0.323428D+01  0.539672D+00 -0.622127D+01
                56            57            58            59            60 
      1   0.745256D+01 -0.252148D+01  0.583545D+01 -0.711456D+01 -0.782837D+01
      2   0.111491D+01 -0.458946D+01  0.112497D+01 -0.792178D+01 -0.254136D+01
      3   0.412366D+01  0.633456D+01  0.775358D+01  0.164260D+01  0.129656D+01
                61            62            63            64            65 
      1  -0.650650D+00  0.638492D+01  0.147620D+02  0.847821D+01 -0.187601D+01
      2  -0.949420D+01  0.514880D+00  0.943350D+01 -0.244871D+01  0.560759D+01
      3   0.429041D+01 -0.530202D+00  0.309909D+01 -0.239110D+01 -0.109790D+02
                66            67            68            69            70 
      1   0.468437D+01 -0.338629D+01 -0.899091D+01  0.101425D+02  0.393520D+01
      2   0.956558D+01  0.332816D+01  0.239517D+01 -0.476708D+01  0.327143D+01
      3  -0.157037D+02 -0.250581D+01  0.195988D+01  0.957221D+00 -0.129097D+02
                71            72            73            74            75 
      1   0.186602D+02 -0.306009D+01 -0.486750D-01 -0.443476D+00 -0.595132D+01
      2  -0.663861D+01  0.932363D+00  0.354926D+01  0.668326D+00  0.167091D+02
      3  -0.194277D+00 -0.565562D-01 -0.375298D+01 -0.178116D+02  0.281972D-01
                76            77            78            79            80 
      1  -0.300427D+01  0.305871D+01 -0.229547D+01  0.101420D+01 -0.114072D+01
      2  -0.193458D+01  0.313045D+01  0.419823D+01  0.496503D+01  0.654070D+00
      3  -0.348509D+01 -0.894020D+01  0.276428D+00  0.726447D+00  0.100346D+01
                81            82            83            84            85 
      1  -0.577427D+01 -0.308973D+01  0.629002D-01 -0.220096D+01 -0.279128D+00
      2  -0.193700D+01 -0.145770D+02 -0.911208D+00 -0.624308D+01 -0.231513D+01
      3  -0.308755D+01  0.683598D+01  0.506985D+01  0.399112D+01  0.149416D+02
                86            87            88            89            90 
      1   0.107830D+01 -0.560396D+01 -0.512321D+01 -0.556953D+00  0.374050D+01
      2   0.725053D+01 -0.101715D+02 -0.159233D+02 -0.896606D+01  0.109182D+02
      3  -0.190468D+02 -0.764157D+01  0.556130D+01 -0.708079D+01  0.121804D+02
                91            92            93            94            95 
      1  -0.106674D+02 -0.523407D+01 -0.439920D+01 -0.734942D+01  0.197704D+02
      2  -0.135932D+02 -0.697676D+00  0.159131D+02 -0.893834D-01  0.599847D+01
      3  -0.388861D+01  0.622085D-01  0.109301D+02  0.559674D+01 -0.529007D+01
                96            97            98            99           100 
      1  -0.654709D+01 -0.475469D+01  0.321892D+01 -0.105054D+02  0.534448D+00
      2  -0.164433D+01  0.779367D+01 -0.217325D+01  0.345862D+01  0.777905D+01
      3   0.331617D-01  0.880491D+01 -0.180667D+01  0.610661D+01  0.130312D+01
               101           102           103           104           105 
      1  -0.555023D+01 -0.263682D+01 -0.493774D+00  0.458731D+01 -0.278010D+00
      2  -0.175341D+01 -0.392677D+01 -0.316461D+01  0.167870D+01  0.213729D+01
      3  -0.162544D+01 -0.112716D+01  0.781724D+00  0.376585D+00  0.349967D+00
               106           107           108           109           110 
      1  -0.208751D+01  0.590849D+01  0.385774D+01 -0.424373D+00  0.441337D+01
      2  -0.699934D+01  0.174925D+01  0.403489D+01 -0.132765D+02  0.181588D+01
      3  -0.436856D+00  0.161991D+01  0.798081D+00 -0.380982D+01 -0.206118D+01
               111           112           113           114           115 
      1  -0.347505D+00  0.132363D+01 -0.203811D+01 -0.386724D+00  0.135309D+00
      2  -0.527690D+01  0.281854D+01 -0.199668D+01  0.225141D+01 -0.648292D+01
      3  -0.206782D+01  0.178152D+01  0.212573D+00  0.661818D+00 -0.190602D+01
               116           117           118           119           120 
      1   0.205249D+01  0.541594D+00 -0.372331D+00  0.364843D+01  0.340338D+01
      2   0.183167D+01 -0.425159D+01 -0.237069D+01  0.275000D+01 -0.979071D-02
      3  -0.538951D+00 -0.172404D+01 -0.592566D+01  0.757064D+01 -0.214557D+01
               121           122           123           124           125 
      1   0.226532D+01 -0.644243D+01 -0.512783D+01  0.112310D+01  0.757449D-01
      2   0.255728D+01 -0.411953D+01  0.575456D+00 -0.172589D+01  0.113739D+01
      3   0.917359D+01 -0.122157D+02  0.172621D+01 -0.117788D+01  0.751655D+00
               126           127           128           129           130 
      1  -0.826467D+00  0.330894D+01 -0.108777D+01 -0.553762D+01  0.242290D+00
      2  -0.207972D+00  0.753396D+01  0.174458D+01  0.204323D+01  0.103216D+01
      3  -0.218066D+01  0.177797D+02  0.166417D+01 -0.455078D+01  0.337589D+01
               131           132           133           134           135 
      1   0.691144D+00 -0.963723D+00 -0.323757D+01  0.161032D+01  0.211051D+01
      2   0.734266D+00  0.184431D+00 -0.245271D+01 -0.569198D+00 -0.213907D+00
      3   0.128310D+01 -0.122047D+01 -0.487419D+01 -0.854277D+00  0.369835D+01
               136           137           138           139           140 
      1  -0.155292D+01  0.369542D+00  0.304773D+01  0.387572D+00 -0.164004D+01
      2  -0.146624D+01  0.683696D+00  0.150191D+01  0.704592D+00 -0.155859D+00
      3   0.408110D+00 -0.244762D+01  0.916258D+00 -0.113317D+00 -0.156850D+01
               141           142           143           144           145 
      1   0.450021D+01  0.303352D+01  0.175151D+01 -0.207702D+02  0.394166D+01
      2   0.254685D+01 -0.353929D+01 -0.140866D+01 -0.118582D+02  0.398239D+01
      3   0.117883D+01  0.294066D+01  0.231642D+01 -0.284843D+01 -0.153165D+01
               146           147           148           149           150 
      1  -0.782876D+01  0.173535D+00 -0.492916D+01  0.132566D+02 -0.276862D+01
      2  -0.410577D+01  0.263553D+01 -0.449458D+01  0.638486D+01 -0.125342D+01
      3  -0.249014D+01 -0.101968D+01  0.449057D+01  0.532560D+01 -0.448073D+00
               151           152           153           154           155 
      1   0.143652D+01 -0.391174D+01  0.584002D+00 -0.246068D+01  0.132443D+01
      2   0.112808D+01 -0.217956D+01  0.662333D+00 -0.219340D+01 -0.701158D+00
      3  -0.144957D+01 -0.132344D+01  0.362035D+00  0.608810D+01 -0.432894D+00
               156           157           158           159           160 
      1  -0.413725D+01 -0.481503D+00 -0.199022D+00 -0.447890D+01 -0.229812D+01
      2   0.199645D+01 -0.168694D+01 -0.284947D+00  0.159252D+01 -0.224916D+01
      3   0.344274D+01  0.340510D+01  0.799332D+00  0.589700D+00  0.446327D+01
               161           162           163           164           165 
      1   0.210342D+00 -0.478329D+01 -0.527525D+01  0.178455D+01 -0.683137D+01
      2   0.128339D+01  0.252936D+01 -0.655439D+01 -0.114387D+01  0.218551D+00
      3  -0.710279D+00  0.169764D+01  0.131448D+02 -0.363596D+00  0.772035D+01
               166           167           168           169           170 
      1   0.186601D+00 -0.220957D+00 -0.162069D+01 -0.527359D+01 -0.197167D+00
      2  -0.594225D+00 -0.116397D+01  0.228633D-01 -0.433760D+01 -0.517850D-01
      3   0.161467D+01  0.177724D+01  0.694340D+00  0.794986D+01  0.348748D+00
               171           172           173           174           175 
      1  -0.605084D+01  0.158118D+01  0.245724D+01 -0.151839D+01  0.242046D+01
      2  -0.143621D+00 -0.662125D+00 -0.198022D+01  0.131080D+01 -0.711425D+00
      3   0.554847D+01  0.103645D+01  0.103023D+01 -0.660690D-03  0.431488D+01
               176           177           178           179           180 
      1   0.134408D+02 -0.117207D+02 -0.133071D+01 -0.106999D+02  0.135247D+02
      2  -0.321072D+01  0.251048D+01 -0.443180D+00  0.314087D+01 -0.387951D+01
      3  -0.240431D+01  0.820307D+00 -0.282840D+01  0.172115D+01 -0.123358D+01
               181           182           183           184           185 
      1  -0.322660D+01 -0.185390D+01  0.454689D+01  0.421435D+00  0.578227D+00
      2   0.859207D+01 -0.344691D+01 -0.330217D+01 -0.258401D+01  0.240114D+01
      3  -0.117442D+02  0.373373D+01  0.675511D+01  0.507073D+01 -0.369033D+01
               186           187           188           189           190 
      1  -0.336391D+01  0.220471D+01 -0.494394D+00 -0.469740D+01 -0.113721D+01
      2   0.165679D+01 -0.613345D+01  0.289589D+01  0.350525D+01 -0.237685D+01
      3  -0.286769D+01  0.711708D+01 -0.256781D+01 -0.515987D+01 -0.277824D+01
               191           192           193           194           195 
      1  -0.637537D+00  0.708767D+00 -0.740637D-01 -0.274193D+01  0.157651D+01
      2  -0.306475D+00  0.404413D+01  0.486293D+00 -0.529279D+01  0.801825D+01
      3  -0.204103D+01  0.158036D+01 -0.404451D+00 -0.515909D+01  0.581399D+01
               196           197           198           199           200 
      1   0.104064D+01  0.518417D+01 -0.441330D+01  0.399426D+00 -0.581813D+00
      2   0.132862D+01  0.703861D+01 -0.189559D+02  0.353378D+00  0.321175D+00
      3   0.759008D+00  0.762807D+01 -0.761391D+01  0.303794D+01 -0.393066D+01
               201           202           203           204           205 
      1   0.576016D+00  0.530561D-01  0.159398D+01 -0.389112D+01  0.430051D+00
      2   0.193586D+01  0.867903D+00 -0.409772D+01 -0.478616D+01  0.102520D+01
      3  -0.780367D+00 -0.272512D+01  0.244560D+02  0.390807D+01 -0.869273D+00
               206           207           208           209           210 
      1   0.754305D+00 -0.848004D+00  0.219297D+01  0.108090D+01  0.108431D+01
      2  -0.220173D+01 -0.261008D+01  0.940971D+01  0.181253D+01  0.983349D+01
      3   0.398716D+01  0.197495D+01 -0.793597D+01 -0.688059D+01 -0.330992D+01
               211           212           213           214           215 
      1   0.894758D+00  0.794900D+00 -0.303953D+00  0.249263D+01  0.193682D+01
      2   0.253034D+01  0.125238D+01  0.421656D+01  0.672712D+01  0.240715D+01
      3  -0.455257D+01 -0.215024D+01 -0.155513D+01 -0.472092D+01 -0.428125D+01
               216           217           218           219           220 
      1   0.106110D+01  0.514255D+01 -0.394593D+01 -0.264206D+01 -0.197026D+01
      2   0.896593D+01  0.184984D+02 -0.573556D+00 -0.621556D+01 -0.743147D+00
      3  -0.410158D+01  0.975233D+01 -0.201872D+01 -0.421825D+01  0.662886D+00
               221           222           223           224           225 
      1  -0.745721D-02  0.177058D+00 -0.227384D+01  0.211559D+01  0.344102D+01
      2   0.239713D+01 -0.412134D+00 -0.904930D+01 -0.582854D+00  0.532004D+01
      3   0.152219D+01 -0.833756D+00 -0.401790D+01  0.235504D+00  0.259798D+01
               226           227           228           229           230 
      1   0.590622D+01  0.478405D+01  0.607219D+01  0.338140D+01  0.195488D+01
      2  -0.568233D+01 -0.111930D+01 -0.791344D+00 -0.241965D+01 -0.102423D+01
      3  -0.478925D+01 -0.384701D+01 -0.454101D+01 -0.165624D+01 -0.166539D+01
               231           232           233           234           235 
      1   0.338229D+01  0.515345D+01  0.490840D+01  0.934904D+01 -0.171917D+01
      2   0.702121D+00 -0.651497D+01  0.186308D-01  0.428415D-01 -0.147739D-01
      3  -0.201311D+01 -0.440034D+01 -0.226806D+01 -0.503333D+01  0.305663D+00
               236           237           238           239           240 
      1   0.333497D+01  0.113292D+01  0.366181D+01 -0.212745D+02 -0.433207D+01
      2   0.205643D+01  0.614655D+00  0.340128D+01 -0.236347D+01 -0.195219D+01
      3  -0.101323D+01 -0.356801D+00  0.378454D+01  0.841169D+01 -0.878862D+00
               241           242           243 
      1   0.713436D+00 -0.220592D+01 -0.263322D+01
      2  -0.653809D+00 -0.789210D+00 -0.111697D+01
      3   0.586237D-01  0.123284D+01  0.378461D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127281D+02  0.428389D+01  0.166572D+02  0.559619D+01  0.978341D+01
      2  -0.671510D+00 -0.290290D+01 -0.107454D+02 -0.457969D+01 -0.238943D+01
      3   0.133996D+02 -0.138100D+01 -0.591180D+01 -0.101650D+01 -0.739399D+01
      4  -0.686130D+00  0.474720D+01 -0.623063D+01  0.685750D+01 -0.152592D+02
      5   0.144889D+02 -0.130131D+01  0.885779D+01  0.946781D+00  0.493907D+00
      6  -0.932929D+01  0.280190D+01 -0.171648D+01  0.364450D+01 -0.646260D+01
                 6             7             8             9            10 
      1  -0.501680D+01  0.207064D+02 -0.312550D+01  0.113392D+02  0.196238D+01
      2  -0.423820D+01 -0.110442D+02 -0.188766D+01 -0.547284D+01 -0.128148D+01
      3   0.925501D+01 -0.966218D+01  0.501315D+01 -0.586634D+01 -0.680900D+00
      4  -0.719711D+00 -0.556690D+01 -0.523710D+00  0.230262D+01  0.748477D+01
      5   0.723896D+01  0.112222D+02  0.627555D+01 -0.269291D+01 -0.315341D+01
      6  -0.455841D+01 -0.210169D+01 -0.537128D+01  0.303585D+01  0.890438D+01
                11            12            13            14            15 
      1   0.605027D+01  0.121735D+01  0.102650D+02 -0.103300D+01 -0.165768D+02
      2  -0.227727D+01  0.523928D+01 -0.238565D-01  0.923090D+01 -0.358697D+01
      3  -0.377300D+01 -0.645662D+01 -0.102412D+02 -0.819790D+01  0.201638D+02
      4   0.415387D+01  0.414210D+01  0.131143D+00  0.227957D+01 -0.154970D+01
      5  -0.209085D+01  0.520205D+01 -0.304761D+01 -0.239506D+01 -0.449592D+01
      6  -0.182094D+01  0.772802D+00 -0.474170D+00  0.396368D+01 -0.472869D+01
                16            17            18            19            20 
      1  -0.179363D+02 -0.855537D+01 -0.187076D+01  0.842492D+01 -0.372432D+01
      2   0.666400D+01 -0.396975D+01  0.594427D+00  0.151965D+02 -0.131943D+02
      3   0.112723D+02  0.125251D+02  0.127634D+01 -0.236214D+02  0.169186D+02
      4   0.785964D+01 -0.534756D+01  0.318057D+01  0.534409D+01 -0.368750D+01
      5   0.246292D+01 -0.213573D+00 -0.307499D+00 -0.118012D+02  0.372806D+01
      6   0.295988D-01  0.857888D+00  0.128909D+02  0.546073D+01 -0.106182D+01
                21            22            23            24            25 
      1  -0.109336D+02 -0.147936D+02 -0.749370D+01  0.175389D+02 -0.211924D+01
      2  -0.595347D+01 -0.884150D+01 -0.729419D+01  0.105393D+01 -0.742461D+01
      3   0.168870D+02  0.236351D+02  0.147879D+02 -0.185928D+02  0.954385D+01
      4   0.396497D+01 -0.306231D+01 -0.389684D+01 -0.251071D+01  0.185256D+01
      5  -0.260831D+02  0.685406D+01  0.333337D+01  0.137084D+02 -0.183428D+02
      6   0.124395D+02 -0.358162D+01 -0.507829D+01  0.791108D+01  0.948527D+01
                26            27            28            29            30 
      1   0.794556D+01  0.479254D+01 -0.633601D+01 -0.188552D+02  0.722620D+01
      2   0.124890D+01  0.155745D+02 -0.787520D+01  0.300004D+02  0.127157D+01
      3  -0.919446D+01 -0.203671D+02  0.142112D+02 -0.111452D+02 -0.849777D+01
      4  -0.210308D+01  0.466979D+01 -0.228093D+02 -0.148791D+02  0.152354D+02
      5   0.973984D+01  0.406399D+01  0.147922D+02  0.968949D+01 -0.369083D+01
      6   0.517374D+01 -0.544694D+01  0.186038D+02 -0.140962D+01 -0.623723D+01
                31            32            33            34            35 
      1  -0.123485D+02  0.196713D+02 -0.352000D+00  0.636704D+01  0.133248D+01
      2   0.212222D+02 -0.287473D+02  0.110164D+02  0.644318D+00  0.917395D+01
      3  -0.887374D+01  0.907602D+01 -0.106644D+02 -0.701136D+01 -0.105064D+02
      4  -0.488646D+01  0.147242D+02  0.247556D+01  0.131553D+02  0.415820D+01
      5   0.386776D+01 -0.413752D+01  0.198046D+00 -0.524023D+01  0.579110D+00
      6  -0.183338D+01  0.114389D+02  0.167605D+01 -0.408983D+01  0.286198D+01
                36            37            38            39            40 
      1  -0.925028D+01  0.724791D+00  0.489482D+01 -0.393200D+00  0.325520D+01
      2   0.743773D+01  0.198969D+01 -0.111841D+02 -0.408949D+01 -0.709478D+01
      3   0.181255D+01 -0.271448D+01  0.628932D+01  0.448269D+01  0.383958D+01
      4   0.331714D+01  0.112185D+01 -0.933500D+01 -0.142348D+02 -0.848121D+01
      5  -0.182033D+01 -0.669761D+01 -0.104124D+02 -0.120105D+02 -0.573955D+01
      6  -0.115513D+02 -0.158286D+02 -0.136557D+02 -0.477829D+01 -0.100195D+02
                41            42            43            44            45 
      1  -0.100776D+02  0.300152D-01 -0.370804D+01 -0.122288D+01  0.335304D+01
      2   0.136784D+02 -0.983095D+00  0.443611D+00 -0.104006D+01 -0.995791D+01
      3  -0.360082D+01  0.953080D+00  0.326442D+01  0.226293D+01  0.660487D+01
      4  -0.353987D+01 -0.643758D+01 -0.115642D+02 -0.642178D+01 -0.142946D+02
      5  -0.673400D+01 -0.899577D+01 -0.991979D+01 -0.115345D+02 -0.707682D+01
      6   0.627242D+00 -0.107037D+02 -0.791719D+01 -0.141570D+02  0.264003D+01
                46            47            48            49            50 
      1  -0.713555D+02 -0.898567D+01  0.441241D+01 -0.242563D+02  0.144491D+01
      2   0.338062D+02 -0.239802D+01 -0.445262D+01  0.114300D+02 -0.557458D+01
      3   0.375493D+02  0.113837D+02  0.402140D-01  0.128263D+02  0.412967D+01
      4  -0.174533D+02 -0.142104D+02  0.261877D+01 -0.114835D+01 -0.590595D+01
      5   0.759606D+01  0.531772D+01 -0.136144D+02  0.398589D+01  0.636418D+00
      6   0.439186D+00  0.207737D+01 -0.720626D+01  0.416998D+01 -0.595175D+01
                51            52            53            54            55 
      1   0.160936D+02  0.776568D+00  0.128841D+02 -0.716878D+00  0.314528D+01
      2  -0.570015D+00  0.237364D+01 -0.708701D+01 -0.159827D+01 -0.877874D+01
      3  -0.155236D+02 -0.315021D+01 -0.579706D+01  0.231515D+01  0.563346D+01
      4   0.236718D+01 -0.949384D+00  0.525853D+01 -0.364058D+01  0.272115D+01
      5  -0.651021D+01  0.389770D+01 -0.135038D+01  0.333859D+00 -0.261389D+01
      6  -0.409947D+01 -0.463841D+00 -0.656511D-01 -0.823064D+01  0.518248D+01
                56            57            58            59            60 
      1  -0.968295D+01 -0.868188D+01  0.195732D+01 -0.170514D+01 -0.106519D+02
      2   0.215588D+02  0.234322D+01  0.116603D+02 -0.154733D+02 -0.729956D+00
      3  -0.118759D+02  0.633866D+01 -0.136176D+02  0.171784D+02  0.113819D+02
      4  -0.168661D+02  0.476368D+00 -0.107851D+02  0.232245D+02 -0.128710D+01
      5  -0.204343D+01  0.859518D-01 -0.312421D+00  0.423898D+01 -0.648885D-01
      6   0.120050D+02  0.444770D+01  0.497441D+01  0.662351D+00  0.108491D+02
                61            62            63            64            65 
      1   0.345224D+01 -0.301785D+01  0.140194D+02  0.708852D+01 -0.698453D+01
      2  -0.698634D+01  0.985901D+01  0.195878D+02  0.535047D+01  0.291255D+01
      3   0.353410D+01 -0.684117D+01 -0.336073D+02 -0.124390D+02  0.407198D+01
      4   0.436557D+01 -0.406679D+01  0.801204D+01 -0.693113D+01 -0.124194D+02
      5   0.108674D+01  0.126283D+01  0.177682D+02 -0.116365D+02 -0.105233D+02
      6   0.156297D+01  0.647806D+01 -0.120239D+02 -0.271779D+02  0.943544D+01
                66            67            68            69            70 
      1  -0.125005D+02 -0.687624D+01 -0.856784D+00 -0.276286D+01 -0.105050D+02
      2   0.146805D+02  0.145802D+01 -0.821186D+01  0.221575D+02  0.136515D+02
      3  -0.218002D+01  0.541822D+01  0.906864D+01 -0.193946D+02 -0.314647D+01
      4  -0.245695D+02 -0.884567D+01  0.154994D+01  0.111922D+02 -0.216760D+02
      5  -0.230952D+02 -0.568548D+01  0.894070D+01  0.284265D+00 -0.199210D+02
      6  -0.782575D+00  0.925986D+01  0.169540D+02 -0.892459D+01 -0.533100D+00
                71            72            73            74            75 
      1  -0.695015D+01  0.469418D+01  0.131062D+03  0.173643D+02 -0.495817D+01
      2   0.270713D+02 -0.101952D+02 -0.632175D+02 -0.438497D+01  0.340593D+01
      3  -0.201212D+02  0.550101D+01 -0.678447D+02 -0.129793D+02  0.155224D+01
      4   0.123735D+02 -0.600998D+01  0.226824D+02  0.287398D+02 -0.207929D+01
      5  -0.127273D+01 -0.177432D+01 -0.104504D+02 -0.308539D+01  0.260157D+02
      6  -0.137594D+02 -0.852212D+01 -0.603221D+01 -0.405959D+01  0.459209D+01
                76            77            78            79            80 
      1   0.216243D+02  0.160072D+02 -0.428130D+01  0.304219D+01 -0.291139D+01
      2  -0.927862D+01 -0.436162D+00  0.194893D+01  0.168400D+01  0.130807D+01
      3  -0.123457D+02 -0.155710D+02  0.233237D+01 -0.472619D+01  0.160332D+01
      4   0.304465D+02  0.164573D+02 -0.358773D+01 -0.393012D+01 -0.265431D+01
      5  -0.621644D+01 -0.434372D+01  0.711152D+01  0.257888D+02  0.594794D+01
      6  -0.434905D+01 -0.275903D+01  0.716971D+01  0.304729D+01  0.596796D+01
                81            82            83            84            85 
      1   0.121339D+02 -0.713542D+01 -0.149456D+02 -0.312953D+02 -0.215350D+02
      2  -0.124830D+02  0.680986D+01  0.112858D+02  0.165049D+02  0.183958D+02
      3   0.349037D+00  0.325562D+00  0.365977D+01  0.147904D+02  0.313923D+01
      4   0.495170D+01 -0.128232D+02 -0.841545D+01  0.137628D+01 -0.139164D+02
      5  -0.545877D+01 -0.313762D+02 -0.161849D+01 -0.146082D+02 -0.515748D+01
      6  -0.797261D+00  0.536185D+01  0.120727D+01  0.121186D+01  0.201856D+01
                86            87            88            89            90 
      1  -0.153374D+01 -0.709933D+00 -0.374795D+02 -0.995865D+00 -0.181151D+02
      2  -0.129157D+02 -0.366960D+01  0.190730D+02 -0.379862D+01  0.147915D+02
      3   0.144494D+02  0.437953D+01  0.184065D+02  0.479448D+01  0.332354D+01
      4   0.356830D+02  0.976636D+01 -0.131858D+01  0.938648D+01 -0.129886D+02
      5   0.973788D+01 -0.164739D+02 -0.208032D+02 -0.152240D+02  0.128690D+02
      6  -0.712504D+01  0.156955D+01  0.115435D+01  0.192205D+01 -0.125193D+01
                91            92            93            94            95 
      1   0.141403D+02 -0.297475D+01 -0.117508D+02 -0.489153D+01  0.526804D+01
      2   0.145673D+02  0.111910D+02  0.172869D+02  0.144809D+02 -0.317095D+02
      3  -0.287075D+02 -0.821622D+01 -0.553611D+01 -0.958933D+01  0.264415D+02
      4  -0.789371D+01 -0.281485D+01  0.874775D+01 -0.376000D+01  0.198947D+02
      5  -0.393016D+01 -0.322410D+01 -0.295406D+02 -0.634278D+01 -0.413429D+01
      6   0.652230D+01 -0.341628D+01 -0.444638D+01 -0.553707D+01  0.166092D+02
                96            97            98            99           100 
      1   0.640196D+01 -0.107307D+02  0.784423D+01 -0.112725D+02 -0.215037D+01
      2   0.950618D+01  0.174039D+02  0.125998D+01  0.180932D+02 -0.117852D+02
      3  -0.159081D+02 -0.667321D+01 -0.910421D+01 -0.682072D+01  0.139355D+02
      4   0.213807D+01  0.784584D+01  0.508624D+01 -0.336180D+01 -0.161239D+01
      5  -0.124990D+02 -0.276724D+02 -0.920971D+01 -0.123353D+02 -0.132933D+02
      6   0.977960D+01 -0.187380D+01  0.114661D+02 -0.115820D+02 -0.404310D-03
               101           102           103           104           105 
      1  -0.171418D+00  0.921096D+01  0.376188D+01 -0.354678D+01 -0.102353D+02
      2   0.510660D+01  0.145267D+02  0.445575D+01 -0.193635D+01 -0.817526D+01
      3  -0.493518D+01 -0.237377D+02 -0.821762D+01  0.548313D+01  0.184105D+02
      4   0.283093D+01 -0.971941D-01  0.214938D+01 -0.138065D+01 -0.136304D+01
      5   0.292956D+01  0.186469D+02  0.358384D+01 -0.472868D+01 -0.587040D+01
      6  -0.569093D+01 -0.158532D+01 -0.307387D+01  0.666863D+01  0.717202D+01
               106           107           108           109           110 
      1   0.553187D+01 -0.324415D+01 -0.212471D+02  0.470576D+01  0.259284D+01
      2   0.991473D+01 -0.454114D+01 -0.270133D+02 -0.151321D+02  0.108944D+01
      3  -0.154466D+02  0.778528D+01  0.482604D+02  0.104263D+02 -0.368228D+01
      4  -0.226638D+00 -0.171764D+01 -0.161699D+01 -0.114181D+02  0.699607D+01
      5   0.148889D+02 -0.439670D+01 -0.176065D+02  0.281526D+02 -0.595426D+01
      6  -0.145627D+01  0.694867D+01  0.194571D+01 -0.913274D+01  0.923419D+01
               111           112           113           114           115 
      1  -0.333404D+01  0.173133D+01 -0.189344D+01  0.244688D+01 -0.220087D+01
      2  -0.126580D+02  0.155732D+01  0.199519D+01  0.414245D+00 -0.758688D+01
      3   0.159920D+02 -0.328865D+01 -0.101752D+00 -0.286112D+01  0.978775D+01
      4  -0.844603D+01  0.716020D+01 -0.306349D+01  0.423024D+01 -0.518394D+01
      5   0.247999D+02 -0.564323D+01  0.509002D+01 -0.592105D+01  0.165731D+02
      6  -0.111865D+02  0.656105D+01 -0.658115D+01  0.844188D+01 -0.725040D+01
               116           117           118           119           120 
      1   0.190966D+01 -0.841456D+01 -0.352426D+01  0.146437D+02 -0.450871D+01
      2   0.305055D-01 -0.144828D+02  0.108407D+02 -0.263023D+02  0.296930D+01
      3  -0.194017D+01  0.228974D+02 -0.731643D+01  0.116586D+02  0.153941D+01
      4   0.262561D+01 -0.614987D+01 -0.701580D+01  0.140104D+02 -0.368356D+01
      5  -0.488797D+01  0.164603D+02  0.148877D+01 -0.454641D+01  0.277152D+01
      6   0.609052D+01 -0.931638D+01 -0.657999D+01  0.101828D+02 -0.615078D+01
               121           122           123           124           125 
      1   0.865216D+01 -0.369355D+02  0.720914D+01 -0.162306D+01  0.436934D+01
      2  -0.142818D+02  0.668452D+02 -0.936069D+01  0.364205D-01 -0.412582D+01
      3   0.562961D+01 -0.299097D+02  0.215155D+01  0.158664D+01 -0.243519D+00
      4   0.113998D+02 -0.986129D+01  0.644244D+00 -0.214937D+01  0.316668D+00
      5  -0.384205D+01  0.299626D+01 -0.808895D+00  0.254448D+01 -0.734290D+00
      6   0.439370D+01 -0.244427D+02  0.132210D+02 -0.296393D+01  0.118436D+02
               126           127           128           129           130 
      1  -0.586190D+01  0.226461D+02  0.325626D+01 -0.214647D+01  0.200899D+01
      2   0.575102D+01 -0.390687D+01  0.620016D+01  0.994038D+00  0.337647D+01
      3   0.110888D+00 -0.187392D+02 -0.945642D+01  0.115243D+01 -0.538546D+01
      4  -0.279855D+01  0.376562D+02  0.232383D+02 -0.132607D+02  0.146839D+02
      5   0.129049D+01 -0.228018D+02 -0.102689D+02  0.128752D+02 -0.522454D+01
      6  -0.364253D+01 -0.166888D+02 -0.114813D+02  0.130673D+02 -0.645650D+01
               131           132           133           134           135 
      1  -0.129492D+01  0.806791D+00 -0.281934D+01  0.951583D+00  0.124086D+01
      2   0.970851D+01 -0.357040D+01  0.243440D+01 -0.314491D+01 -0.412265D+01
      3  -0.841359D+01  0.276361D+01  0.384945D+00  0.219333D+01  0.288179D+01
      4   0.105102D+02 -0.533684D+01 -0.108469D+02 -0.671082D+01  0.843287D+01
      5  -0.498268D+01  0.337920D+01  0.127763D+02  0.520193D+01 -0.859282D+01
      6  -0.865768D+01  0.529331D+01  0.998800D+01  0.777187D+01 -0.808441D+01
               136           137           138           139           140 
      1  -0.137153D+01  0.155051D+01  0.252373D+00  0.256166D+01 -0.380856D+01
      2  -0.463804D+01 -0.166130D+01  0.522237D+01 -0.350995D+01  0.115617D+01
      3   0.600957D+01  0.110790D+00 -0.547474D+01  0.948286D+00  0.265240D+01
      4  -0.117032D+01  0.520183D+01  0.430203D+01  0.148958D+01 -0.297167D+01
      5  -0.557499D+01  0.144857D+01  0.123289D+02 -0.258245D+01 -0.258839D+01
      6   0.243052D+01 -0.286422D+01 -0.330977D+01 -0.135566D+01  0.197928D+01
               141           142           143           144           145 
      1   0.205688D+00 -0.177127D+01 -0.626616D+01 -0.291862D+02  0.703889D+01
      2   0.709410D+01  0.633683D+01  0.118148D+01 -0.272453D+02  0.680045D+01
      3  -0.729978D+01 -0.456556D+01  0.508468D+01  0.564315D+02 -0.138393D+02
      4  -0.145845D+01  0.455680D+01 -0.361545D+01 -0.849792D+01 -0.199934D+02
      5   0.403490D+01  0.112517D+02 -0.352787D+01 -0.252951D+02 -0.457264D+01
      6   0.524282D+01 -0.441853D+01  0.103654D+02  0.254507D+02  0.432502D+01
               146           147           148           149           150 
      1   0.102878D+01  0.221803D+01 -0.383576D+00 -0.156829D+02 -0.199908D+01
      2  -0.144405D+02 -0.175606D+01 -0.125350D+02  0.423937D+02  0.147205D+01
      3   0.134117D+02 -0.461969D+00  0.129185D+02 -0.267108D+02  0.527032D+00
      4   0.259993D+02  0.377213D+01  0.214528D+02 -0.348736D+02 -0.316720D+01
      5   0.684711D+01  0.486442D+01  0.524806D+01 -0.518694D+01 -0.390262D+01
      6  -0.829565D+01 -0.505824D+01 -0.678135D+01  0.144133D+02  0.787913D+01
               151           152           153           154           155 
      1   0.302072D+01 -0.304092D+00 -0.453115D+01  0.721228D+01 -0.844144D+00
      2   0.977724D+00 -0.692388D+01  0.196640D+01 -0.875010D+00  0.690657D+01
      3  -0.399845D+01  0.722797D+01  0.256475D+01 -0.633727D+01 -0.606243D+01
      4  -0.457440D+01  0.532491D+01 -0.489519D+01  0.200320D+02  0.184801D+02
      5   0.136454D+01 -0.294265D+01 -0.160729D+01  0.175281D+02  0.104410D+02
      6  -0.248056D+01  0.538779D+01  0.250325D+01  0.136814D+02  0.117565D+02
               156           157           158           159           160 
      1   0.127241D+01 -0.174089D+01 -0.637834D+01 -0.437777D+01  0.101908D+01
      2  -0.153495D+01  0.651563D+01  0.133767D+02  0.527357D+01 -0.196593D+01
      3   0.262541D+00 -0.477474D+01 -0.699838D+01 -0.895800D+00  0.946844D+00
      4   0.133469D+02  0.151440D+02  0.155244D+02  0.958343D+01  0.122411D+02
      5   0.152114D+02  0.745289D+01  0.928364D+01  0.728435D+01  0.149151D+02
      6   0.121036D+02  0.956864D+01  0.141936D+02  0.151016D+02  0.117719D+02
               161           162           163           164           165 
      1  -0.521089D+01 -0.676321D+01  0.117869D+02 -0.237588D+01  0.199928D+01
      2   0.451124D+01 -0.449358D+00 -0.121423D+02  0.614436D+01 -0.101703D+02
      3   0.699653D+00  0.721257D+01  0.355361D+00 -0.376848D+01  0.817098D+01
      4   0.108604D+02  0.130750D+02  0.251763D+02  0.146707D+02  0.173139D+02
      5   0.969983D+01  0.164159D+02  0.262715D+02  0.881922D+01  0.225007D+02
      6   0.174811D+02  0.197858D+02  0.173077D+02  0.104530D+02  0.159344D+02
               166           167           168           169           170 
      1  -0.866666D+00 -0.434127D+00 -0.104143D+01  0.321974D+01 -0.254455D+01
      2   0.367749D+01  0.239083D+01  0.131457D+01 -0.960132D+01  0.109129D-01
      3  -0.281082D+01 -0.195671D+01 -0.273137D+00  0.638159D+01  0.253364D+01
      4   0.757770D+01  0.539766D+01  0.334607D+01  0.154051D+02  0.581852D+01
      5   0.252748D+01  0.398708D+01  0.147799D+01  0.194895D+02  0.540044D+01
      6   0.437897D+01  0.266426D+01  0.616947D+01  0.118036D+02  0.118293D+02
               171           172           173           174           175 
      1  -0.440582D+01 -0.669540D+00  0.247151D-01  0.790491D+00 -0.242214D+00
      2  -0.797897D+01  0.354709D+01  0.544572D+01 -0.358248D+01  0.533942D+01
      3   0.123848D+02 -0.287755D+01 -0.547044D+01  0.279199D+01 -0.509721D+01
      4   0.119442D+02  0.516259D+01  0.101465D+02 -0.163181D+01  0.963167D+01
      5   0.180467D+02  0.604346D+00  0.494934D+00  0.478145D+01  0.500711D+00
      6   0.169713D+02  0.580561D+00 -0.205250D+01  0.200339D+01 -0.205719D+01
               176           177           178           179           180 
      1  -0.166864D+02  0.557970D+01  0.306087D+00  0.111520D+02 -0.472300D+01
      2   0.425952D+02 -0.176253D+02 -0.453139D+01 -0.290227D+02  0.127725D+02
      3  -0.259088D+02  0.120456D+02  0.422531D+01  0.178706D+02 -0.804950D+01
      4   0.112448D+02 -0.534547D+01 -0.558801D+01 -0.947242D+01  0.457679D+01
      5  -0.312356D+01  0.222656D+01  0.311718D+01  0.275986D+01 -0.358988D+01
      6  -0.837844D+01  0.120922D+02  0.143456D+01  0.104985D+02 -0.156372D+02
               181           182           183           184           185 
      1  -0.379673D+01  0.114472D+02  0.111704D+02  0.609383D+01 -0.980246D+01
      2   0.349737D+00 -0.125770D+02 -0.238058D+01 -0.650872D+01  0.121594D+02
      3   0.344699D+01  0.112982D+01 -0.878980D+01  0.414899D+00 -0.235695D+01
      4  -0.177144D+02  0.108114D+02  0.123173D+02  0.843516D+01 -0.835908D+01
      5  -0.121454D+02  0.657902D+01  0.109186D+02  0.401786D+01 -0.580065D+01
      6   0.144272D+02 -0.156720D+02 -0.164244D+02 -0.893286D+01  0.107283D+02
               186           187           188           189           190 
      1  -0.715872D+01  0.777902D+01 -0.100451D+02 -0.141236D+02  0.697890D+01
      2   0.380028D+01 -0.205019D+01  0.504618D+01  0.998045D+00 -0.630469D+01
      3   0.335844D+01 -0.572883D+01  0.499893D+01  0.131255D+02 -0.674216D+00
      4  -0.659263D+01  0.118159D+02 -0.703435D+01 -0.764179D+01  0.427282D+01
      5  -0.344031D+01  0.107111D+02 -0.362070D+01 -0.732124D+01 -0.610638D+01
      6   0.125686D+02 -0.103051D+02  0.170705D+02  0.206830D+02 -0.119968D+01
               191           192           193           194           195 
      1   0.519792D+01 -0.438900D+01  0.114234D+02 -0.259008D+00 -0.159558D+01
      2  -0.347897D+01  0.525504D+01 -0.746225D+01  0.119986D+01  0.381244D+01
      3  -0.171895D+01 -0.866035D+00 -0.396113D+01 -0.940849D+00 -0.221686D+01
      4   0.352311D+01 -0.252654D+01  0.409121D+01  0.429247D+01 -0.750782D+01
      5  -0.358764D+01  0.129938D+02 -0.501733D+01 -0.738023D+01  0.122197D+02
      6  -0.694730D+00 -0.126680D+00 -0.214829D+00 -0.225392D+01  0.240336D+01
               196           197           198           199           200 
      1  -0.120026D+02  0.650143D-02  0.540871D+01  0.686512D+01 -0.559139D+01
      2   0.909023D+01  0.314612D+01 -0.154903D+02  0.119711D+00 -0.425116D+00
      3   0.291237D+01 -0.315262D+01  0.100816D+02 -0.698483D+01  0.601651D+01
      4  -0.111908D+01 -0.100752D+02  0.840407D+01 -0.858516D+01  0.141436D+02
      5   0.181388D+02  0.971338D+01 -0.321143D+02  0.728582D+00  0.319369D+01
      6  -0.139957D+01  0.394190D+01  0.104777D+01  0.154720D+01 -0.149722D+01
               201           202           203           204           205 
      1   0.137395D+01 -0.121073D+02 -0.409562D+01  0.265122D+00  0.180382D+01
      2  -0.105733D+01 -0.162909D+01  0.262565D+02  0.215691D+01 -0.139021D+01
      3  -0.316617D+00  0.137363D+02 -0.221609D+02 -0.242203D+01 -0.413610D+00
      4   0.278237D+01  0.246065D+02 -0.477270D+02 -0.746483D+01  0.346978D+01
      5   0.405016D+01  0.474381D+01 -0.664863D+01 -0.720571D+01  0.657316D+01
      6  -0.105711D+01 -0.276904D+01  0.884767D+01  0.805436D+01 -0.233912D+01
               206           207           208           209           210 
      1  -0.330597D+00  0.869109D+00  0.597026D+02  0.828289D+01  0.204711D+02
      2   0.237163D+01  0.503887D+00 -0.326071D+02 -0.507518D+01 -0.122693D+02
      3  -0.204104D+01 -0.137300D+01 -0.270955D+02 -0.320771D+01 -0.820185D+01
      4  -0.662161D+01 -0.457981D+01  0.390895D+01  0.100475D+02  0.152974D+01
      5  -0.482227D+01 -0.448692D+01  0.238080D+02  0.310806D+01  0.178862D+02
      6   0.709232D+01  0.290546D+01 -0.225075D+01  0.704174D+00 -0.155443D+01
               211           212           213           214           215 
      1   0.177328D+02  0.701424D+01  0.456198D+01  0.355920D+02  0.314645D+01
      2  -0.103397D+02 -0.163652D+01 -0.251210D+01 -0.205946D+02 -0.188865D+01
      3  -0.739306D+01 -0.537773D+01 -0.204988D+01 -0.149973D+02 -0.125780D+01
      4   0.119893D+02  0.247663D+01  0.369851D+01  0.114160D+01  0.685262D+01
      5   0.682924D+01  0.368251D+01  0.761940D+01  0.240640D+02  0.463149D+01
      6   0.107370D+01  0.188325D+01  0.186810D+01 -0.152594D+01  0.207967D+01
               216           217           218           219           220 
      1   0.150056D+02 -0.650444D+01 -0.493020D+01  0.141035D+02 -0.108454D+01
      2  -0.131332D+02 -0.569886D+01  0.160951D+01  0.440696D+01 -0.568158D+00
      3  -0.187245D+01  0.122033D+02  0.332069D+01 -0.185105D+02  0.165270D+01
      4   0.342474D+01  0.123620D+02  0.295415D+01 -0.630868D+01  0.293270D+01
      5   0.191541D+02 -0.207609D+02 -0.154503D-01  0.125185D+02  0.601854D+00
      6  -0.138670D+01 -0.454313D+01 -0.854850D+01  0.104404D+02 -0.414429D+01
               221           222           223           224           225 
      1  -0.273653D+01  0.667578D+00  0.888627D+01  0.151715D+01 -0.104527D+02
      2   0.413939D+01 -0.264887D+01  0.261437D+01 -0.106058D+01 -0.897462D+01
      3  -0.140286D+01  0.198129D+01 -0.115006D+02 -0.456570D+00  0.194273D+02
      4  -0.308162D+00 -0.122622D+01 -0.571279D+01 -0.191202D+01  0.472765D+01
      5  -0.278508D+01  0.296304D+01  0.132545D+02  0.194099D+01 -0.739602D+01
      6  -0.262941D+01  0.268849D+01  0.514181D+01  0.400846D+01 -0.620857D+01
               226           227           228           229           230 
      1   0.100753D+02  0.247769D+01  0.166040D+01  0.384325D+01 -0.478776D+00
      2  -0.206620D+02 -0.464522D+01 -0.210943D+02 -0.805866D+01 -0.362735D+00
      3   0.105867D+02  0.216754D+01  0.194339D+02  0.421541D+01  0.841512D+00
      4  -0.445185D+01  0.498549D+01 -0.525019D+01  0.280254D+01  0.286590D+00
      5   0.279791D+02  0.176807D+01  0.300530D+02  0.896081D+01  0.583390D+01
      6  -0.225958D+01  0.686843D+01 -0.393650D+01  0.450030D+01  0.215686D+01
               231           232           233           234           235 
      1  -0.197319D+01  0.248694D+01 -0.544387D-01 -0.761156D+01 -0.214750D+00
      2  -0.968075D+01 -0.175819D+02 -0.363163D+01 -0.286004D+02  0.231211D+01
      3   0.116539D+02  0.150949D+02  0.368607D+01  0.362119D+02 -0.209736D+01
      4   0.226073D+01 -0.457908D+01  0.257301D+01 -0.300959D+01 -0.563377D+01
      5   0.101056D+02  0.254195D+02  0.278452D+01  0.313996D+02  0.280053D+01
      6   0.431860D+01 -0.224855D+01  0.593071D+01 -0.460397D+01 -0.375128D+01
               236           237           238           239           240 
      1  -0.718997D+00 -0.459447D-01 -0.536392D+00 -0.218863D+02  0.566544D+01
      2  -0.565909D+01 -0.191182D+01 -0.654678D+01  0.484226D+02 -0.115001D+01
      3   0.637809D+01  0.195777D+01  0.708317D+01 -0.265363D+02 -0.451544D+01
      4   0.110932D+02 -0.171715D+01  0.127342D+02 -0.246661D+02  0.317628D+01
      5  -0.380268D+01  0.568903D+01 -0.530968D+01  0.671476D+01 -0.366335D+01
      6   0.549505D+01 -0.145605D+01  0.636051D+01 -0.315806D+02  0.119531D+02
               241           242           243 
      1  -0.643351D+00  0.460001D+00 -0.124928D+01
      2  -0.213427D+01  0.464310D+01  0.218816D+01
      3   0.277762D+01 -0.510310D+01 -0.938881D+00
      4   0.127639D+01 -0.235796D+01 -0.153395D+01
      5   0.318955D+01 -0.467268D+00  0.997664D+00
      6  -0.318846D+00  0.443109D+01  0.315940D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.145304D+01      0.369326D+01      0.123194D+02
   x          0.138601D+01      0.352288D+01      0.117511D+02
   y          0.431426D+00      0.109658D+01      0.365778D+01
   z         -0.646109D-01     -0.164225D+00     -0.547794D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.130204D+03      0.192942D+02      0.214677D+02
   aniso      0.837948D+01      0.124171D+01      0.138159D+01
   xx         0.134675D+03      0.199568D+02      0.222049D+02
   yx         0.138155D+01      0.204724D+00      0.227786D+00
   yy         0.129857D+03      0.192428D+02      0.214105D+02
   zx        -0.325054D+00     -0.481680D-01     -0.535941D-01
   zy         0.168208D+01      0.249258D+00      0.277337D+00
   zz         0.126079D+03      0.186830D+02      0.207877D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.135128D+03      0.200239D+02      0.222796D+02
   aniso      0.102338D+02      0.151649D+01      0.168733D+01
   xx         0.140830D+03      0.208689D+02      0.232198D+02
   yx         0.173309D+01      0.256817D+00      0.285747D+00
   yy         0.134146D+03      0.198783D+02      0.221176D+02
   zx        -0.676153D+00     -0.100196D+00     -0.111483D+00
   zy         0.188989D+01      0.280053D+00      0.311602D+00
   zz         0.130408D+03      0.193245D+02      0.215014D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.53897074         -1.18710074          1.45975013
     6          1.24769449         -0.38673759         -0.75456586
     6          2.60048933          1.97306541          0.37591524
     6          0.59195096          3.19373483          2.13424066
     6         -1.73425644          1.48978258          1.73133922
     6         -0.66460144          0.77108575         -2.58332171
     6         -2.69854955          2.02808968         -0.95397387
     6          2.97554797         -2.33228345         -1.92228219
     8         -0.58269020          0.72652398         -4.85686602
     6          0.84906833         -2.08589557          3.82752770
     6         -2.42860755         -3.24730669          0.70949287
     1          4.27029268          1.36689430          1.41877800
     1          3.24988452          3.24527591         -1.10881813
     1          0.18941986          5.14968206          1.62899894
     1          1.20646017          3.19067941          4.09841978
     1         -4.52739822          1.16990844         -1.35970894
     1         -2.85034106          4.03429339         -1.40315989
     1         -3.17194539          1.64936397          3.19682860
     1          4.00896236         -1.51544698         -3.50763211
     1          1.91022964         -3.93886857         -2.65257692
     1          4.34528906         -3.02763773         -0.54591421
     1          2.29474304         -0.77841703          4.47944097
     1          1.76074034         -3.90354788          3.48252356
     1         -0.49489103         -2.35278837          5.37218815
     1         -3.38735397         -2.87435010         -1.07358320
     1         -3.87172812         -3.46349025          2.16931679
     1         -1.46943117         -5.06235279          0.51509988

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.145304D+01      0.369326D+01      0.123194D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.145304D+01      0.369326D+01      0.123194D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.130204D+03      0.192942D+02      0.214677D+02
   aniso      0.837948D+01      0.124171D+01      0.138159D+01
   xx         0.127373D+03      0.188747D+02      0.210009D+02
   yx        -0.235242D+01     -0.348592D+00     -0.387861D+00
   yy         0.128240D+03      0.190032D+02      0.211439D+02
   zx        -0.469306D+00     -0.695440D-01     -0.773781D-01
   zy        -0.465905D+00     -0.690400D-01     -0.768173D-01
   zz         0.134999D+03      0.200048D+02      0.222583D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.135128D+03      0.200239D+02      0.222796D+02
   aniso      0.102338D+02      0.151649D+01      0.168733D+01
   xx         0.131842D+03      0.195369D+02      0.217377D+02
   yx        -0.257738D+01     -0.381928D+00     -0.424952D+00
   yy         0.132333D+03      0.196097D+02      0.218188D+02
   zx        -0.212864D+00     -0.315431D-01     -0.350965D-01
   zy        -0.651409D+00     -0.965289D-01     -0.107403D+00
   zz         0.141209D+03      0.209251D+02      0.232823D+02

 ----------------------------------------------------------------------
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 THE REAL VOYAGE OF DISCOVERY CONSISTS NOT IN SEEKING NEW LANDSCAPES 
 BUT IN HAVING NEW EYES.
                                                    -- MARCEL PROUST
 Job cpu time:       0 days  4 hours 32 minutes 48.6 seconds.
 Elapsed time:       0 days  0 hours 34 minutes  7.9 seconds.
 File lengths (MBytes):  RWF=    387 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 20:06:53 2022.
